#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 4.89 0.35 1.61 0.01 -1.26 -4.88 113.70 114.41 1whb s SER 2 Ca 0.00 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1whb s SER 2 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1whb s SER 2 CO 0.00 -1.46 0.00 -1.20 0.41 0.00 0.00 173.24 170.99 1whb n SER 3 N -2.43 -8.51 -4.50 2.44 7.64 -1.26 -4.10 113.62 102.90 1whb n SER 3 Ca 0.14 0.61 -0.31 0.00 1.01 0.00 0.00 58.87 60.32 1whb n SER 3 Cb 0.61 -4.36 -0.06 0.00 -1.01 0.00 0.00 64.21 59.39 1whb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whb n GLY 4 N -4.22 1.29 2.51 0.23 0.00 -1.26 -4.87 105.19 98.87 1whb n GLY 4 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1whb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whb n SER 5 N 13.28 2.78 -0.09 1.61 7.64 -1.26 -5.09 113.62 132.50 1whb n SER 5 Ca 0.46 -2.55 -0.16 0.00 1.01 0.00 0.00 58.87 57.63 1whb n SER 5 Cb 0.46 0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.88 1whb n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whb n SER 6 N -1.26 2.08 0.00 6.43 7.64 -1.26 -5.08 113.62 122.17 1whb n SER 6 Ca -0.14 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1whb n SER 6 Cb 0.45 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whb n GLY 7 N 2.28 4.30 2.39 0.23 0.00 -1.26 -4.97 105.19 108.16 1whb n GLY 7 Ca -0.35 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.90 -4.90 -3.30 1.61 5.02 -1.26 -4.94 118.16 109.49 1whb n LYS 8 Ca 0.00 3.60 -0.39 0.00 -2.02 0.00 0.00 58.31 59.50 1whb n LYS 8 Cb 0.00 -4.72 -0.07 0.00 -0.02 0.00 0.00 35.03 30.21 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 4.87 -4.13 -4.59 0.00 4.07 -1.26 -5.06 120.64 114.54 1whb n GLU 10 Ca -0.06 3.08 -0.28 0.00 -0.06 0.00 0.00 57.16 59.84 1whb n GLU 10 Cb 0.50 -3.47 -0.08 0.00 -0.06 0.00 0.00 31.44 28.34 1whb n GLU 10 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1whb s THR 11 N -3.31 0.68 0.31 6.31 2.01 -1.26 -5.18 115.64 115.21 1whb s THR 11 Ca 0.00 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 59.83 1whb s THR 11 Cb 0.00 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1whb s THR 11 CO 0.00 0.00 0.70 -0.54 -0.69 0.00 0.00 174.62 174.09 1whb s LYS 12 N -3.73 1.91 -0.87 4.92 -0.14 -1.26 -5.10 119.74 115.47 1whb s LYS 12 Ca 0.17 -1.21 -0.25 0.00 -1.36 0.00 0.00 55.97 53.33 1whb s LYS 12 Cb 0.02 0.59 0.03 0.00 -1.68 0.00 0.00 37.83 36.79 1whb s LYS 12 CO 0.11 -0.87 1.42 -2.00 -0.76 0.00 0.00 175.35 173.25 1whb s GLU 13 N -3.37 3.32 -0.67 1.68 2.56 -1.26 -4.96 118.70 116.00 1whb s GLU 13 Ca 0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 54.97 54.26 1whb s GLU 13 Cb -0.05 -4.78 0.05 0.00 2.00 0.00 0.00 34.13 31.35 1whb s GLU 13 CO 0.09 -2.27 1.10 0.21 -0.56 0.00 0.00 175.26 173.83 1whb s LYS 14 N 5.52 3.20 0.00 4.30 2.36 -1.26 -3.80 119.74 130.06 1whb s LYS 14 Ca 0.43 -0.44 0.00 0.00 -2.55 0.00 0.00 55.97 53.41 1whb s LYS 14 Cb -0.04 -4.17 0.00 0.00 -1.05 0.00 0.00 37.83 32.57 1whb s LYS 14 CO 0.03 -1.88 0.00 0.41 1.55 0.00 0.00 175.35 175.46 1whb n GLY 15 N 5.29 0.60 3.15 5.54 0.00 -1.26 -5.13 105.19 113.38 1whb n GLY 15 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.40 0.04 4.61 0.00 -1.25 -3.62 121.76 122.94 1whb s ALA 16 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1whb s ALA 16 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1whb s ALA 16 CO 0.00 0.33 0.09 -1.50 0.00 0.00 0.00 175.76 174.68 1whb s ILE 17 N -0.32 4.69 0.39 0.00 2.07 -0.82 -4.85 121.20 122.36 1whb s ILE 17 Ca 0.05 -0.57 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 1whb s ILE 17 Cb -0.07 -3.21 -0.03 0.00 0.13 0.00 0.00 42.46 39.27 1whb s ILE 17 CO -0.00 0.23 0.62 0.42 -1.91 0.00 0.00 174.94 174.30 1whb s THR 18 N -1.31 5.04 0.33 4.00 -4.23 -1.26 -1.89 115.64 116.32 1whb s THR 18 Ca 0.27 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1whb s THR 18 Cb -0.12 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 70.07 1whb s THR 18 CO 0.19 -0.65 1.93 0.00 -0.54 0.00 0.00 174.62 175.55 1whb h ALA 19 N 0.60 1.41 -0.38 3.99 0.00 -1.95 -2.33 119.26 120.61 1whb h ALA 19 Ca -0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1whb h ALA 19 Cb 1.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1whb h ALA 19 CO 0.61 0.46 0.24 -0.22 0.00 0.00 0.00 179.25 180.35 1whb h LYS 20 N 0.79 0.51 -0.65 0.00 1.63 -2.00 -1.46 116.57 115.40 1whb h LYS 20 Ca 0.20 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1whb h LYS 20 Cb 0.09 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1whb h LYS 20 CO -0.03 0.36 0.26 0.93 -3.45 0.00 0.00 179.45 177.53 1whb h GLU 21 N 0.51 0.96 -0.69 1.90 5.08 -1.88 -1.38 114.58 119.08 1whb h GLU 21 Ca 0.14 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1whb h GLU 21 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1whb h GLU 21 CO -0.03 0.80 0.45 1.25 -1.00 0.00 0.00 179.01 180.49 1whb h LEU 22 N 0.91 0.80 -0.30 1.33 5.85 -1.11 0.74 115.31 123.52 1whb h LEU 22 Ca 0.22 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1whb h LEU 22 Cb 0.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1whb h LEU 22 CO -0.02 0.58 0.02 0.22 -0.34 0.00 0.00 178.44 178.90 1whb h TYR 23 N 0.93 0.56 -0.38 1.25 5.03 -1.02 0.32 116.97 123.67 1whb h TYR 23 Ca 0.25 -0.09 -0.15 0.00 2.58 0.00 0.00 58.73 61.32 1whb h TYR 23 Cb -0.10 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 1whb h TYR 23 CO -0.02 0.64 -0.36 1.15 -1.32 0.00 0.00 178.16 178.25 1whb h THR 24 N 0.32 1.28 -0.33 1.81 2.02 -0.98 -2.57 112.91 114.46 1whb h THR 24 Ca 0.09 -1.53 -0.16 0.00 0.77 0.00 0.00 66.41 65.58 1whb h THR 24 Cb 0.41 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1whb h THR 24 CO 0.01 0.51 -0.41 0.24 0.37 0.00 0.00 175.52 176.24 1whb h MET 25 N 0.72 0.82 0.63 6.66 2.86 0.56 -1.97 114.93 125.21 1whb h MET 25 Ca 0.06 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.23 1whb h MET 25 Cb 0.95 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.64 1whb h MET 25 CO 0.09 1.08 -0.30 0.52 1.06 0.00 0.00 176.91 179.35 1whb h MET 26 N 0.67 -0.81 -0.09 1.72 2.07 -0.33 -2.70 114.93 115.46 1whb h MET 26 Ca 0.05 0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.72 1whb h MET 26 Cb 0.98 0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.89 1whb h MET 26 CO 0.09 -0.54 -0.01 1.79 1.07 0.00 0.00 176.91 179.31 1whb h THR 27 N -0.86 1.07 -2.50 2.22 1.35 -1.51 -3.42 112.91 109.26 1whb h THR 27 Ca -0.09 -0.28 -0.53 0.00 -0.55 0.00 0.00 66.41 64.96 1whb h THR 27 Cb 0.65 1.02 0.04 0.00 -1.73 0.00 0.00 68.15 68.14 1whb h THR 27 CO 0.14 0.09 1.12 0.47 -0.25 0.00 0.00 175.52 177.09 1whb n ASP 28 N -4.44 4.07 -2.16 5.36 9.92 -0.74 -4.88 116.55 123.68 1whb n ASP 28 Ca -0.02 0.98 -0.23 0.00 -0.53 0.00 0.00 54.79 54.99 1whb n ASP 28 Cb 0.14 -1.55 0.16 0.00 -0.64 0.00 0.00 41.12 39.23 1whb n ASP 28 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1whb n LYS 29 N 5.70 2.21 0.00 -1.24 4.81 -1.26 -4.26 118.16 124.11 1whb n LYS 29 Ca 0.18 -2.83 0.00 0.00 -0.87 0.00 0.00 58.31 54.79 1whb n LYS 29 Cb 0.38 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1whb n LYS 29 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1whb n ASN 30 N -1.00 1.74 -4.54 3.14 2.85 -1.26 -5.01 115.26 111.18 1whb n ASN 30 Ca 0.56 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.63 1whb n ASN 30 Cb 1.49 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 42.41 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1whb s ILE 31 N -1.87 5.24 0.41 -1.44 1.01 -1.26 -5.07 121.20 118.22 1whb s ILE 31 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1whb s ILE 31 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 1whb s ILE 31 CO 0.00 -0.01 1.19 -0.44 0.00 0.00 0.00 174.94 175.68 1whb s SER 32 N 1.73 6.43 -0.05 3.58 0.01 -1.26 -4.86 113.70 119.28 1whb s SER 32 Ca 0.09 2.40 -0.26 0.00 1.31 0.00 0.00 55.95 59.49 1whb s SER 32 Cb -0.17 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.50 1whb s SER 32 CO 0.11 -0.74 0.57 -0.22 0.41 0.00 0.00 173.24 173.36 1whb s LEU 33 N -2.55 -0.20 -0.03 2.44 2.96 -1.26 -1.65 118.68 118.39 1whb s LEU 33 Ca 0.58 0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1whb s LEU 33 Cb -0.32 2.14 0.02 0.00 0.50 0.00 0.00 46.19 48.54 1whb s LEU 33 CO 0.40 -0.54 0.06 -0.63 -1.32 0.00 0.00 176.35 174.32 1whb s ILE 34 N -1.16 -0.04 0.23 6.68 1.01 -1.24 -5.01 121.20 121.67 1whb s ILE 34 Ca -0.11 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1whb s ILE 34 Cb -0.02 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 1whb s ILE 34 CO 0.08 0.06 0.33 -0.63 0.00 0.00 0.00 174.94 174.78 1whb s ILE 35 N 0.78 5.19 0.06 2.92 1.09 -1.25 -0.22 121.20 129.76 1whb s ILE 35 Ca -0.06 -0.98 -0.01 0.00 -1.10 0.00 0.00 60.65 58.50 1whb s ILE 35 Cb -0.09 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1whb s ILE 35 CO -0.03 -0.29 -0.02 -0.04 -0.10 0.00 0.00 174.94 174.46 1whb s MET 36 N -3.85 0.63 -0.44 2.79 -1.94 -0.77 0.11 119.30 115.83 1whb s MET 36 Ca 0.34 -1.23 0.04 0.00 -1.71 0.00 0.00 55.69 53.12 1whb s MET 36 Cb -0.09 0.21 0.12 0.00 2.01 0.00 0.00 34.83 37.08 1whb s MET 36 CO 0.29 -0.12 0.17 -0.51 -0.01 0.00 0.00 175.02 174.84 1whb s ASP 37 N -2.93 4.43 -0.98 3.03 1.01 -0.28 0.33 116.67 121.28 1whb s ASP 37 Ca 0.08 -2.62 -0.17 0.00 0.71 0.00 0.00 52.55 50.55 1whb s ASP 37 Cb 0.08 -1.57 -0.09 0.00 1.01 0.00 0.00 42.92 42.35 1whb s ASP 37 CO -0.09 -0.30 2.08 0.00 0.21 0.00 0.00 175.17 177.07 1whb n ALA 38 N 3.62 4.26 -2.45 5.23 0.00 -1.24 -3.12 120.51 126.82 1whb n ALA 38 Ca 0.05 -3.17 -0.12 0.00 0.00 0.00 0.00 53.44 50.19 1whb n ALA 38 Cb 0.36 -3.48 -0.08 0.00 0.00 0.00 0.00 19.45 16.25 1whb n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1whb s ARG 39 N 4.18 1.38 1.39 0.00 3.00 -1.18 -4.85 118.95 122.86 1whb s ARG 39 Ca 0.52 -1.61 -0.21 0.00 0.00 0.00 0.00 55.73 54.44 1whb s ARG 39 Cb 0.14 0.33 0.36 0.00 0.00 0.00 0.00 34.95 35.77 1whb s ARG 39 CO 0.04 -0.50 0.91 -2.13 0.00 0.00 0.00 175.30 173.62 1whb n ARG 40 N -0.35 -4.14 -0.11 3.54 0.63 -1.26 -2.65 116.66 112.32 1whb n ARG 40 Ca 0.02 -1.22 -0.12 0.00 -0.92 0.00 0.00 57.85 55.61 1whb n ARG 40 Cb 0.64 -2.00 -0.03 0.00 0.45 0.00 0.00 32.46 31.53 1whb n ARG 40 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1whb h MET 41 N -3.36 0.69 -0.06 -0.14 -1.53 -1.93 -2.93 114.93 105.66 1whb h MET 41 Ca -0.48 -0.29 -0.04 0.00 -3.44 0.00 0.00 59.70 55.45 1whb h MET 41 Cb 1.34 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.35 1whb h MET 41 CO 0.33 0.88 -0.17 1.96 0.14 0.00 0.00 176.91 180.06 1whb h GLN 42 N 0.46 0.10 0.01 0.39 4.20 -1.99 -2.45 115.11 115.84 1whb h GLN 42 Ca 0.08 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1whb h GLN 42 Cb 0.67 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1whb h GLN 42 CO 0.04 0.27 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.03 1whb h ASP 43 N 0.10 -0.02 -0.60 1.46 3.32 -1.85 0.29 116.42 119.13 1whb h ASP 43 Ca 0.02 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1whb h ASP 43 Cb 0.36 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1whb h ASP 43 CO 0.02 -0.01 0.09 0.22 -1.72 0.00 0.00 179.24 177.85 1whb h TYR 44 N -0.02 1.08 -0.18 4.55 3.20 -1.45 -1.84 116.97 122.30 1whb h TYR 44 Ca -0.00 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.66 1whb h TYR 44 Cb 0.02 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1whb h TYR 44 CO -0.08 0.92 -0.17 1.96 -1.64 0.00 0.00 178.16 179.15 1whb h GLN 45 N 0.96 0.31 0.00 1.82 4.20 -1.17 -3.32 115.11 117.91 1whb h GLN 45 Ca 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1whb h GLN 45 Cb 0.43 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1whb h GLN 45 CO 0.01 0.48 0.00 -0.25 -0.67 0.00 0.00 178.83 178.40 1whb n ASP 46 N -4.21 0.00 -4.11 1.46 8.00 0.07 -4.93 116.55 112.82 1whb n ASP 46 Ca -0.00 0.65 -0.21 0.00 0.71 0.00 0.00 54.79 55.94 1whb n ASP 46 Cb 0.32 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 1whb n ASP 46 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1whb s SER 47 N -2.70 1.58 -0.05 -2.24 0.01 -0.72 -4.83 113.70 104.74 1whb s SER 47 Ca 0.00 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1whb s SER 47 Cb 0.00 -0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.20 1whb s SER 47 CO 0.00 0.09 0.91 0.00 0.41 0.00 0.00 173.24 174.65 1whb s ILE 49 N -2.41 3.39 0.06 0.00 1.01 -1.26 -2.35 121.20 119.64 1whb s ILE 49 Ca 0.02 0.57 -0.32 0.00 0.00 0.00 0.00 60.65 60.92 1whb s ILE 49 Cb -0.01 -3.10 -0.17 0.00 0.01 0.00 0.00 42.46 39.19 1whb s ILE 49 CO -0.05 -0.48 1.49 -0.07 0.00 0.00 0.00 174.94 175.83 1whb h LEU 50 N -0.35 -1.04 -7.40 2.97 3.38 -1.86 -3.34 115.31 107.67 1whb h LEU 50 Ca -0.45 0.05 -0.74 0.00 0.09 0.00 0.00 57.88 56.83 1whb h LEU 50 Cb 1.24 0.29 -0.33 0.00 0.09 0.00 0.00 40.66 41.95 1whb h LEU 50 CO 0.54 -0.68 0.09 -1.00 0.09 0.00 0.00 178.44 177.48 1whb s HIS 51 N -5.54 4.03 0.16 1.13 3.76 -1.26 -4.99 115.29 112.57 1whb s HIS 51 Ca -0.17 -2.92 -0.09 0.00 -0.15 0.00 0.00 55.06 51.73 1whb s HIS 51 Cb 0.02 -3.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 1whb s HIS 51 CO 0.52 -0.81 0.28 -1.54 -0.85 0.00 0.00 174.74 172.34 1whb s SER 52 N 0.35 0.04 0.21 1.40 1.04 -1.25 -4.57 113.70 110.91 1whb s SER 52 Ca 0.29 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1whb s SER 52 Cb -0.08 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1whb s SER 52 CO -0.11 -0.88 0.32 -0.22 0.98 0.00 0.00 173.24 173.34 1whb s LEU 53 N -2.95 4.30 0.18 2.42 2.96 0.30 -4.95 118.68 120.93 1whb s LEU 53 Ca 0.15 0.09 0.10 0.00 -0.22 0.00 0.00 54.13 54.25 1whb s LEU 53 Cb 0.03 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1whb s LEU 53 CO -0.02 -0.03 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.24 1whb s SER 54 N -3.71 3.71 -0.30 3.68 0.15 -1.26 -1.13 113.70 114.84 1whb s SER 54 Ca 0.34 -0.74 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1whb s SER 54 Cb -0.10 -0.42 0.18 0.00 -1.71 0.00 0.00 66.02 63.98 1whb s SER 54 CO 0.29 0.13 0.67 0.54 1.20 0.00 0.00 173.24 176.06 1whb s VAL 55 N -1.58 -0.91 0.45 4.45 0.11 -1.18 -4.81 120.40 116.93 1whb s VAL 55 Ca 0.21 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 1whb s VAL 55 Cb -0.09 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.69 1whb s VAL 55 CO 0.11 0.00 1.24 -2.16 -3.33 0.00 0.00 175.10 170.96 1whb s PRO 56 N 2.87 3.74 0.19 1.54 0.04 -1.23 -3.12 135.00 139.02 1whb s PRO 56 Ca 0.15 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.23 1whb s PRO 56 Cb -0.14 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1whb s PRO 56 CO -0.19 -0.62 1.43 1.49 0.04 0.00 0.00 177.00 179.15 1whb h GLU 57 N 2.20 0.06 -0.32 4.56 4.81 -1.79 -3.13 114.58 120.96 1whb h GLU 57 Ca -0.50 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1whb h GLU 57 Cb 1.26 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1whb h GLU 57 CO 0.61 0.84 0.22 0.93 -0.73 0.00 0.00 179.01 180.87 1whb h GLU 58 N 0.03 0.21 0.02 1.92 5.08 -1.92 -1.28 114.58 118.65 1whb h GLU 58 Ca -0.02 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1whb h GLU 58 Cb 1.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1whb h GLU 58 CO 0.11 0.14 -1.18 0.00 -1.00 0.00 0.00 179.01 177.09 1whb h ALA 59 N 1.83 0.40 -2.63 3.43 0.00 -1.89 -3.45 119.26 116.95 1whb h ALA 59 Ca 0.14 -1.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.50 1whb h ALA 59 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1whb h ALA 59 CO -0.03 1.28 0.23 0.42 0.00 0.00 0.00 179.25 181.16 1whb s ILE 60 N -2.68 4.65 0.21 0.00 1.01 -0.48 -4.75 121.20 119.15 1whb s ILE 60 Ca -0.01 1.78 0.09 0.00 0.00 0.00 0.00 60.65 62.51 1whb s ILE 60 Cb 0.09 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1whb s ILE 60 CO 0.83 0.35 -0.17 -0.44 0.00 0.00 0.00 174.94 175.51 1whb s SER 61 N -0.05 2.86 -0.85 3.58 0.01 -1.26 -4.89 113.70 113.09 1whb s SER 61 Ca 0.41 -0.97 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 1whb s SER 61 Cb -0.21 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 1whb s SER 61 CO 0.25 -0.07 1.95 -2.16 0.41 0.00 0.00 173.24 173.62 1whb s PRO 62 N -3.34 2.54 0.00 12.44 0.04 -1.26 -3.37 135.00 142.05 1whb s PRO 62 Ca 0.22 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1whb s PRO 62 Cb -0.03 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1whb s PRO 62 CO 0.09 -3.31 0.00 0.41 0.04 0.00 0.00 177.00 174.23 1whb n GLY 63 N 6.68 0.77 3.73 0.56 0.00 -1.26 -5.09 105.19 110.57 1whb n GLY 63 Ca 0.37 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.56 1.58 0.47 1.61 -7.23 -1.22 -5.10 120.40 108.95 1whb s VAL 64 Ca 0.00 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1whb s VAL 64 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1whb s VAL 64 CO 0.00 0.00 0.41 0.42 -0.31 0.00 0.00 175.10 175.62 1whb s THR 65 N -2.79 2.31 0.30 5.32 -4.23 -1.26 -3.99 115.64 111.30 1whb s THR 65 Ca 0.21 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1whb s THR 65 Cb 0.04 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.41 1whb s THR 65 CO 0.11 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.10 1whb h ALA 66 N 0.89 1.35 -0.27 3.99 0.00 -1.80 -2.04 119.26 121.38 1whb h ALA 66 Ca -0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 66 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1whb h ALA 66 CO 0.56 0.51 0.15 0.77 0.00 0.00 0.00 179.25 181.25 1whb h SER 67 N 0.91 0.32 0.21 0.00 0.02 -1.89 0.12 113.55 113.23 1whb h SER 67 Ca 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1whb h SER 67 Cb 0.08 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1whb h SER 67 CO -0.03 0.26 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.57 1whb h TRP 68 N 0.37 -0.26 -0.13 3.45 2.91 -1.76 -1.59 115.95 118.93 1whb h TRP 68 Ca 0.10 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.02 1whb h TRP 68 Cb 0.01 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1whb h TRP 68 CO 0.00 -0.12 -0.27 0.82 -1.03 0.00 0.00 178.44 177.84 1whb h ILE 69 N -0.33 1.37 -0.38 2.65 2.04 -1.48 -2.94 117.51 118.44 1whb h ILE 69 Ca -0.03 -1.54 0.11 0.00 1.00 0.00 0.00 64.86 64.40 1whb h ILE 69 Cb 0.25 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1whb h ILE 69 CO 0.05 0.46 0.36 -0.08 0.00 0.00 0.00 178.15 178.93 1whb h GLU 70 N 0.02 0.00 0.00 2.37 4.81 -0.76 0.17 114.58 121.18 1whb h GLU 70 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1whb h GLU 70 Cb 0.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1whb h GLU 70 CO 0.06 0.00 -1.07 0.00 -0.73 0.00 0.00 179.01 177.27 1whb h ALA 71 N 1.64 0.52 -3.33 2.92 0.00 -1.19 -3.40 119.26 116.42 1whb h ALA 71 Ca 0.18 -0.91 -0.64 0.00 0.00 0.00 0.00 54.91 53.54 1whb h ALA 71 Cb 0.90 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.30 1whb h ALA 71 CO -0.00 1.15 -0.60 -1.01 0.00 0.00 0.00 179.25 178.79 1whb s HIS 72 N -2.76 3.24 0.10 0.00 3.76 0.58 -5.06 115.29 115.15 1whb s HIS 72 Ca 0.00 -3.17 -0.18 0.00 -0.15 0.00 0.00 55.06 51.55 1whb s HIS 72 Cb 0.09 -2.83 0.04 0.00 1.11 0.00 0.00 32.58 30.99 1whb s HIS 72 CO 0.80 -0.72 0.45 -0.51 -0.85 0.00 0.00 174.74 173.91 1whb s LEU 73 N -0.43 0.20 0.00 0.89 1.43 -1.23 -4.78 118.68 114.75 1whb s LEU 73 Ca 0.18 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1whb s LEU 73 Cb -0.23 1.97 0.00 0.00 0.03 0.00 0.00 46.19 47.96 1whb s LEU 73 CO -0.02 -0.81 0.00 -2.65 0.23 0.00 0.00 176.35 173.10 1whb n PRO 74 N 0.01 -0.31 -0.05 1.29 -0.02 -1.26 -4.77 135.00 129.89 1whb n PRO 74 Ca -0.17 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.29 1whb n PRO 74 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.10 1whb n PRO 74 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1whb h ASP 75 N -1.32 0.00 0.46 2.55 3.32 -2.01 -3.24 116.42 116.18 1whb h ASP 75 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1whb h ASP 75 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1whb h ASP 75 CO 0.00 0.50 -0.63 -0.78 -1.72 0.00 0.00 179.24 176.61 1whb h ASP 76 N -0.82 0.18 0.25 6.45 3.58 -2.02 -3.03 116.42 121.01 1whb h ASP 76 Ca 0.00 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1whb h ASP 76 Cb 0.18 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1whb h ASP 76 CO 0.00 0.77 -0.26 0.28 -2.88 0.00 0.00 179.24 177.15 1whb h SER 77 N 0.11 0.01 0.36 2.28 0.02 -1.91 -2.28 113.55 112.14 1whb h SER 77 Ca -0.01 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1whb h SER 77 Cb 1.14 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1whb h SER 77 CO 0.09 0.27 -0.34 0.50 -1.14 0.00 0.00 176.83 176.21 1whb h LYS 78 N 0.01 0.00 0.44 3.45 1.63 -1.56 -2.49 116.57 118.05 1whb h LYS 78 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1whb h LYS 78 Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1whb h LYS 78 CO 0.03 0.34 -0.21 -0.44 -3.45 0.00 0.00 179.45 175.72 1whb h ASP 79 N 0.00 -0.50 -0.21 4.20 5.19 -1.49 -3.07 116.42 120.54 1whb h ASP 79 Ca -0.00 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.49 1whb h ASP 79 Cb 0.61 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1whb h ASP 79 CO 0.04 -0.28 0.24 0.74 -3.12 0.00 0.00 179.24 176.87 1whb h THR 80 N -0.76 0.44 0.26 0.35 2.02 -1.60 -2.81 112.91 110.82 1whb h THR 80 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1whb h THR 80 Cb 0.45 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1whb h THR 80 CO 0.10 0.00 -0.19 -0.25 0.37 0.00 0.00 175.52 175.55 1whb h TRP 81 N 0.00 -0.51 -0.10 3.16 2.91 -1.35 -2.50 115.95 117.55 1whb h TRP 81 Ca 0.10 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.15 1whb h TRP 81 Cb 0.58 0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.42 1whb h TRP 81 CO 0.00 -0.27 0.11 1.57 -1.03 0.00 0.00 178.44 178.82 1whb h LYS 82 N -0.43 0.00 0.00 2.65 2.10 -1.47 0.74 116.57 120.16 1whb h LYS 82 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1whb h LYS 82 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1whb h LYS 82 CO 0.02 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.10 1whb n LYS 83 N -3.93 0.05 -0.26 0.07 4.76 -0.97 -3.20 118.16 114.68 1whb n LYS 83 Ca -0.00 0.31 0.28 0.00 -2.87 0.00 0.00 58.31 56.03 1whb n LYS 83 Cb 0.21 -1.60 0.66 0.00 -1.84 0.00 0.00 35.03 32.46 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1whb h ARG 84 N 0.00 0.13 0.00 1.97 0.11 -0.51 0.60 114.38 116.68 1whb h ARG 84 Ca 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1whb h ARG 84 Cb 0.27 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1whb h ARG 84 CO 0.00 0.08 -0.11 0.78 0.10 0.00 0.00 179.97 180.83 1whb h GLY 85 N 0.13 0.00 1.98 0.08 0.00 -1.78 -3.16 103.07 100.32 1whb h GLY 85 Ca 0.51 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.64 1whb h GLY 85 CO -0.09 0.00 -0.94 -0.57 0.00 0.00 0.00 176.54 174.94 1whb h ASN 86 N 0.00 0.02 -3.97 0.19 -0.73 -0.02 -3.46 115.58 107.61 1whb h ASN 86 Ca -0.00 -0.02 -0.44 0.00 1.87 0.00 0.00 56.30 57.70 1whb h ASN 86 Cb 0.88 -0.01 0.17 0.00 0.27 0.00 0.00 38.32 39.64 1whb h ASN 86 CO 0.01 0.95 0.43 0.68 -0.37 0.00 0.00 177.43 179.13 1whb s VAL 87 N -2.87 2.00 -0.06 2.57 -7.23 -1.07 -5.01 120.40 108.73 1whb s VAL 87 Ca 0.00 -0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1whb s VAL 87 Cb 0.10 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 1whb s VAL 87 CO 0.81 0.00 -0.11 1.21 -0.31 0.00 0.00 175.10 176.70 1whb n GLU 88 N -3.81 0.17 -2.96 4.82 4.07 -1.18 -4.78 120.64 116.97 1whb n GLU 88 Ca 0.16 0.07 -0.19 0.00 -0.06 0.00 0.00 57.16 57.14 1whb n GLU 88 Cb 0.59 -0.78 0.03 0.00 -0.06 0.00 0.00 31.44 31.23 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1whb s TYR 89 N -1.65 2.30 -0.10 4.31 1.51 -0.66 -3.69 117.35 119.36 1whb s TYR 89 Ca -0.10 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.41 1whb s TYR 89 Cb 0.01 -2.39 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1whb s TYR 89 CO 0.14 -0.77 0.27 0.08 -1.11 0.00 0.00 175.55 174.17 1whb s VAL 90 N -2.53 0.00 0.14 0.71 1.01 -1.26 -3.60 120.40 114.87 1whb s VAL 90 Ca 0.58 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.60 1whb s VAL 90 Cb -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1whb s VAL 90 CO 0.36 -0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.66 1whb s VAL 91 N 0.14 1.16 0.42 2.92 1.01 0.70 -2.17 120.40 124.57 1whb s VAL 91 Ca -0.00 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.04 1whb s VAL 91 Cb -0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1whb s VAL 91 CO 0.00 -0.69 0.12 -0.76 0.00 0.00 0.00 175.10 173.77 1whb s LEU 92 N -3.01 2.03 0.37 3.92 1.43 -0.23 -1.85 118.68 121.34 1whb s LEU 92 Ca 0.14 -1.67 0.05 0.00 -1.03 0.00 0.00 54.13 51.63 1whb s LEU 92 Cb 0.01 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 1whb s LEU 92 CO 0.01 -0.92 0.20 -0.76 0.23 0.00 0.00 176.35 175.11 1whb s LEU 93 N -3.63 1.86 -0.03 1.79 1.43 0.15 -2.17 118.68 118.08 1whb s LEU 93 Ca 0.23 -1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 51.31 1whb s LEU 93 Cb 0.03 0.22 0.09 0.00 0.03 0.00 0.00 46.19 46.56 1whb s LEU 93 CO 0.14 -1.00 1.30 1.51 0.23 0.00 0.00 176.35 178.52 1whb s ASP 94 N -3.50 0.01 -0.27 2.29 -4.77 -1.26 -3.64 116.67 105.52 1whb s ASP 94 Ca 0.31 -0.16 -0.14 0.00 -3.30 0.00 0.00 52.55 49.26 1whb s ASP 94 Cb 0.02 0.12 -0.13 0.00 -1.09 0.00 0.00 42.92 41.84 1whb s ASP 94 CO 0.21 -0.23 -0.29 0.79 0.70 0.00 0.00 175.17 176.34 1whb n TRP 95 N -0.94 0.11 -2.23 2.11 5.03 -1.26 0.11 117.44 120.37 1whb n TRP 95 Ca 0.05 0.05 -0.04 0.00 3.03 0.00 0.00 57.50 60.58 1whb n TRP 95 Cb 0.58 -1.01 -0.01 0.00 -1.03 0.00 0.00 31.31 29.84 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 -4.22 -0.37 -3.86 -5.99 3.72 -1.26 -4.37 117.46 101.11 1whb n PHE 96 Ca -0.52 -0.81 -0.30 0.00 -0.05 0.00 0.00 57.45 55.77 1whb n PHE 96 Cb 0.87 0.61 -0.14 0.00 -0.94 0.00 0.00 39.48 39.88 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 -1.25 4.17 0.82 4.37 1.04 -1.26 -5.00 113.70 116.59 1whb s SER 97 Ca 0.07 -2.46 -0.10 0.00 0.48 0.00 0.00 55.95 53.95 1whb s SER 97 Cb 0.15 -1.32 0.13 0.00 0.10 0.00 0.00 66.02 65.08 1whb s SER 97 CO -0.05 -0.31 1.15 -0.44 0.98 0.00 0.00 173.24 174.57 1whb s SER 98 N 0.52 4.01 0.58 7.02 0.01 -1.26 -4.84 113.70 119.73 1whb s SER 98 Ca 0.14 0.23 0.27 0.00 1.31 0.00 0.00 55.95 57.90 1whb s SER 98 Cb -0.22 -0.56 1.67 0.00 0.21 0.00 0.00 66.02 67.12 1whb s SER 98 CO -0.06 -2.14 2.18 0.00 0.41 0.00 0.00 173.24 173.63 1whb h ALA 99 N -1.04 1.73 0.00 1.44 0.00 -1.87 -0.10 119.26 119.41 1whb h ALA 99 Ca -0.43 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1whb h ALA 99 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1whb h ALA 99 CO 0.47 -0.13 -0.89 0.87 0.00 0.00 0.00 179.25 179.58 1whb h LYS 100 N 0.00 0.00 -0.70 0.00 6.56 -2.00 -3.29 116.57 117.14 1whb h LYS 100 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1whb h LYS 100 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1whb h LYS 100 CO -0.00 0.22 0.00 -0.25 -2.06 0.00 0.00 179.45 177.36 1whb n ASP 101 N -2.94 4.27 -4.69 0.86 9.92 -0.07 -4.91 116.55 118.99 1whb n ASP 101 Ca -0.02 -2.63 -0.41 0.00 -0.53 0.00 0.00 54.79 51.20 1whb n ASP 101 Cb 0.69 -0.62 -0.04 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 -1.90 4.25 0.00 0.64 1.43 -1.08 -4.69 118.68 117.33 1whb s LEU 102 Ca 0.38 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1whb s LEU 102 Cb 0.29 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 43.31 1whb s LEU 102 CO 0.12 -0.28 0.15 0.00 0.23 0.00 0.00 176.35 176.57 1whb n GLN 103 N 4.54 0.87 -2.54 1.70 1.13 -1.26 -5.04 117.38 116.79 1whb n GLN 103 Ca 0.02 -3.11 -0.42 0.00 -1.94 0.00 0.00 57.00 51.55 1whb n GLN 103 Cb 0.50 0.63 -0.01 0.00 0.11 0.00 0.00 30.24 31.48 1whb n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1whb s ILE 104 N -2.49 4.06 0.00 5.09 -1.09 -1.26 -3.70 121.20 121.80 1whb s ILE 104 Ca 0.11 -1.72 0.00 0.00 -2.23 0.00 0.00 60.65 56.81 1whb s ILE 104 Cb -0.01 -5.14 0.00 0.00 -1.58 0.00 0.00 42.46 35.73 1whb s ILE 104 CO 0.07 -1.95 0.00 0.61 -1.23 0.00 0.00 174.94 172.44 1whb n GLY 105 N 5.60 0.28 2.95 6.18 0.00 -1.26 -5.18 105.19 113.76 1whb n GLY 105 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.00 -0.06 2.61 -2.24 -1.24 -5.05 114.28 108.29 1whb n THR 106 Ca 0.00 -1.82 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 1whb n THR 106 Cb 0.00 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.25 1.54 -0.05 4.28 -1.04 -1.26 -3.64 114.28 112.86 1whb n THR 107 Ca -0.10 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.05 61.00 1whb n THR 107 Cb 0.50 -1.00 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.01 0.70 0.08 -4.42 3.38 -1.94 -1.70 115.31 111.42 1whb h LEU 108 Ca -0.44 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 56.95 1whb h LEU 108 Cb 2.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1whb h LEU 108 CO 0.04 1.14 -0.04 -0.09 0.09 0.00 0.00 178.44 179.59 1whb h ARG 109 N 0.28 -0.10 -0.86 1.13 2.43 -1.91 -0.57 114.38 114.77 1whb h ARG 109 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1whb h ARG 109 Cb 1.06 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1whb h ARG 109 CO 0.10 0.12 0.55 0.66 -1.51 0.00 0.00 179.97 179.89 1whb h SER 110 N -0.31 1.01 0.02 -3.80 4.64 -1.64 0.26 113.55 113.73 1whb h SER 110 Ca -0.01 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1whb h SER 110 Cb 0.27 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1whb h SER 110 CO 0.02 0.75 -0.21 0.25 -0.87 0.00 0.00 176.83 176.77 1whb h LEU 111 N 1.17 0.32 0.00 5.97 5.85 -1.19 -1.50 115.31 125.93 1whb h LEU 111 Ca 0.31 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.73 1whb h LEU 111 Cb -0.10 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1whb h LEU 111 CO -0.06 0.54 -1.03 0.50 -0.34 0.00 0.00 178.44 178.05 1whb h LYS 112 N 0.30 0.00 0.00 1.25 3.64 -0.33 -3.25 116.57 118.18 1whb h LYS 112 Ca 0.05 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1whb h LYS 112 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1whb h LYS 112 CO 0.04 0.95 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.49 1whb h ASP 113 N 0.00 0.00 -0.38 4.20 3.32 -0.19 -3.07 116.42 120.30 1whb h ASP 113 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1whb h ASP 113 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1whb h ASP 113 CO 0.12 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1whb n ALA 114 N -2.18 3.42 0.00 3.45 0.00 -0.59 -0.63 120.51 123.99 1whb n ALA 114 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1whb n ALA 114 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.41 2.48 0.00 0.00 4.77 -1.16 -2.89 117.00 120.61 1whb n LEU 115 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1whb n LEU 115 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1whb n LEU 115 CO 0.22 0.41 -0.39 0.33 -1.33 0.00 0.00 177.39 176.63 1whb n PHE 116 N -2.34 0.00 0.03 -1.77 -0.00 -1.22 -4.26 117.46 107.91 1whb n PHE 116 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 1whb n PHE 116 Cb 0.43 0.08 -0.04 0.00 -0.00 0.00 0.00 39.48 39.95 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 0.00 -0.38 0.00 -4.13 3.64 -1.71 -3.30 116.57 110.69 1whb h LYS 117 Ca 0.00 0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.14 1whb h LYS 117 Cb 0.78 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1whb h LYS 117 CO 0.00 -0.25 -1.47 0.91 -2.27 0.00 0.00 179.45 176.37 1whb n TRP 118 N -5.39 0.87 -1.47 1.91 7.02 0.20 -5.04 117.44 115.54 1whb n TRP 118 Ca -0.04 0.37 0.10 0.00 -1.02 0.00 0.00 57.50 56.91 1whb n TRP 118 Cb 0.31 -1.09 -0.05 0.00 -2.42 0.00 0.00 31.31 28.06 1whb n TRP 118 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1whb n GLU 119 N -4.39 -3.62 -2.81 -0.99 0.00 -1.25 -4.98 120.64 102.60 1whb n GLU 119 Ca -0.36 2.89 -0.06 0.00 0.00 0.00 0.00 57.16 59.64 1whb n GLU 119 Cb 0.72 -3.88 0.00 0.00 0.00 0.00 0.00 31.44 28.28 1whb n GLU 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1whb n SER 120 N -3.55 -3.22 -2.42 4.31 2.88 -1.26 -4.69 113.62 105.68 1whb n SER 120 Ca -0.05 -2.88 -0.20 0.00 -1.33 0.00 0.00 58.87 54.40 1whb n SER 120 Cb 0.59 1.58 0.00 0.00 -0.75 0.00 0.00 64.21 65.62 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1whb n LYS 121 N 2.90 -2.36 -3.54 -1.46 5.02 -1.26 -4.86 118.16 112.60 1whb n LYS 121 Ca 0.19 0.94 -0.08 0.00 -2.02 0.00 0.00 58.31 57.34 1whb n LYS 121 Cb 0.56 -5.59 -0.09 0.00 -0.02 0.00 0.00 35.03 29.89 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1whb s THR 122 N -3.03 -0.66 -0.08 -0.18 2.01 -1.26 -5.15 115.64 107.28 1whb s THR 122 Ca 0.07 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1whb s THR 122 Cb -0.03 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1whb s THR 122 CO 0.09 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.24 1whb s VAL 123 N 2.61 3.40 0.39 3.82 1.01 -1.26 -4.88 120.40 125.48 1whb s VAL 123 Ca 0.04 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1whb s VAL 123 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1whb s VAL 123 CO -0.14 0.57 0.38 -0.76 0.00 0.00 0.00 175.10 175.15 1whb s LEU 124 N -0.43 3.52 0.15 3.92 1.02 -1.26 -4.83 118.68 120.77 1whb s LEU 124 Ca 0.06 -0.60 -0.00 0.00 0.02 0.00 0.00 54.13 53.60 1whb s LEU 124 Cb -0.12 -2.21 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 1whb s LEU 124 CO 0.02 -0.56 1.35 0.03 0.02 0.00 0.00 176.35 177.21 1whb h ARG 125 N 1.04 0.29 -4.01 1.70 2.47 -1.87 -3.47 114.38 110.54 1whb h ARG 125 Ca -0.42 -0.31 -0.16 0.00 -1.26 0.00 0.00 59.98 57.83 1whb h ARG 125 Cb 1.26 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.57 1whb h ARG 125 CO 0.56 1.01 -0.27 0.54 0.56 0.00 0.00 179.97 182.37 1whb s ASN 126 N -6.99 0.20 0.14 7.04 2.20 -1.26 -5.09 114.94 111.19 1whb s ASN 126 Ca -0.04 -1.18 -0.30 0.00 -0.94 0.00 0.00 52.86 50.40 1whb s ASN 126 Cb 0.10 0.55 -0.07 0.00 -2.00 0.00 0.00 41.25 39.82 1whb s ASN 126 CO 0.84 -1.09 1.15 -1.61 -2.94 0.00 0.00 177.10 173.45 1whb s GLU 127 N -3.84 4.52 0.04 3.55 2.02 -1.26 -4.86 118.70 118.87 1whb s GLU 127 Ca 0.29 1.76 -0.34 0.00 0.02 0.00 0.00 54.97 56.70 1whb s GLU 127 Cb 0.01 -3.29 -0.13 0.00 0.10 0.00 0.00 34.13 30.82 1whb s GLU 127 CO 0.12 -0.06 1.69 -2.30 0.02 0.00 0.00 175.26 174.73 1whb n PRO 128 N 2.88 2.06 -4.08 0.39 -0.02 -1.26 -4.84 135.00 130.12 1whb n PRO 128 Ca 0.05 0.75 -0.23 0.00 -2.02 0.00 0.00 63.50 62.04 1whb n PRO 128 Cb 0.46 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.21 3.88 -0.07 2.45 1.02 -0.92 -4.88 118.68 122.37 1whb s LEU 129 Ca 0.85 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.85 1whb s LEU 129 Cb -0.72 -2.44 -0.03 0.00 0.02 0.00 0.00 46.19 43.03 1whb s LEU 129 CO 0.45 -0.00 -0.09 0.54 0.02 0.00 0.00 176.35 177.27 1whb s VAL 130 N -1.98 3.55 0.61 -1.59 0.11 -1.24 -1.06 120.40 118.80 1whb s VAL 130 Ca 0.32 -0.53 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 1whb s VAL 130 Cb -0.09 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1whb s VAL 130 CO 0.25 0.59 1.28 -0.11 -3.33 0.00 0.00 175.10 173.78 1whb n LEU 131 N 2.36 5.66 -4.55 2.54 7.94 -0.92 -1.94 117.00 128.09 1whb n LEU 131 Ca -0.18 0.87 -0.35 0.00 -1.11 0.00 0.00 56.01 55.25 1whb n LEU 131 Cb 0.53 -1.55 -0.04 0.00 0.53 0.00 0.00 43.42 42.89 1whb n LEU 131 CO 0.27 -0.96 1.46 -0.70 -1.11 0.00 0.00 177.39 176.36 1whb s GLU 132 N -3.16 2.72 0.00 1.96 2.12 -0.79 -3.45 118.70 118.10 1whb s GLU 132 Ca 0.79 0.09 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1whb s GLU 132 Cb -0.40 -4.68 0.00 0.00 0.26 0.00 0.00 34.13 29.32 1whb s GLU 132 CO 0.44 -2.88 0.00 0.41 -0.54 0.00 0.00 175.26 172.69 1whb n GLY 133 N 6.17 3.09 0.00 -1.50 0.00 -1.26 -4.76 105.19 106.93 1whb n GLY 133 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.57 0.37 -0.02 0.00 -1.22 -4.12 105.19 99.63 1whb n GLY 134 Ca 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 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 1.24 -0.79 1.61 3.20 0.50 0.22 116.97 122.94 1whb h TYR 135 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1whb h TYR 135 Cb 0.00 -0.42 -0.05 0.00 1.54 0.00 0.00 36.73 37.81 1whb h TYR 135 CO 0.00 0.80 0.52 1.49 -1.64 0.00 0.00 178.16 179.33 1whb h GLU 136 N 1.32 0.94 0.05 1.82 4.57 -1.76 -0.92 114.58 120.61 1whb h GLU 136 Ca 0.35 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 58.22 1whb h GLU 136 Cb -0.12 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.24 1whb h GLU 136 CO -0.07 0.62 -1.31 -0.97 -1.18 0.00 0.00 179.01 176.10 1whb h ASN 137 N 0.97 0.18 -0.51 1.04 -0.73 -1.61 -3.32 115.58 111.59 1whb h ASN 137 Ca 0.32 -0.23 -0.05 0.00 1.87 0.00 0.00 56.30 58.21 1whb h ASN 137 Cb 0.06 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 1whb h ASN 137 CO -0.09 1.19 0.14 -0.25 -0.37 0.00 0.00 177.43 178.04 1whb h TRP 138 N 0.03 0.89 -0.44 0.67 2.91 0.03 0.18 115.95 120.23 1whb h TRP 138 Ca -0.14 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 59.77 1whb h TRP 138 Cb 1.91 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 30.28 1whb h TRP 138 CO 0.03 0.74 0.18 -0.07 -1.03 0.00 0.00 178.44 178.29 1whb h LEU 139 N 0.83 0.56 0.04 0.65 3.38 -1.28 0.36 115.31 119.84 1whb h LEU 139 Ca 0.18 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1whb h LEU 139 Cb 0.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1whb h LEU 139 CO -0.00 0.51 -0.27 -0.07 0.09 0.00 0.00 178.44 178.70 1whb h LEU 140 N 0.62 0.12 -1.00 1.67 3.38 -1.54 -0.99 115.31 117.57 1whb h LEU 140 Ca 0.15 -0.97 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1whb h LEU 140 Cb 0.12 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1whb h LEU 140 CO -0.02 1.12 0.36 0.00 0.09 0.00 0.00 178.44 180.00 1whb s TYR 142 N -5.61 -0.30 0.29 0.00 2.02 0.12 -4.99 117.35 108.88 1whb s TYR 142 Ca -0.11 -1.39 0.22 0.00 -0.37 0.00 0.00 57.07 55.41 1whb s TYR 142 Cb 0.16 -0.29 1.03 0.00 -0.40 0.00 0.00 41.96 42.47 1whb s TYR 142 CO 0.81 -1.06 1.90 -1.00 -1.57 0.00 0.00 175.55 174.64 1whb h PRO 143 N 5.41 0.00 -2.05 -1.71 0.13 -1.28 -3.20 132.00 129.30 1whb h PRO 143 Ca 0.16 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.77 1whb h PRO 143 Cb 1.02 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.97 1whb h PRO 143 CO 0.19 0.25 0.54 0.00 -0.23 0.00 0.00 178.00 178.75 1whb n GLN 144 N -3.65 2.58 -1.08 0.86 10.64 -1.26 -3.92 117.38 121.55 1whb n GLN 144 Ca -0.01 -2.42 -0.06 0.00 -1.83 0.00 0.00 57.00 52.68 1whb n GLN 144 Cb 0.37 -2.18 -0.06 0.00 -0.86 0.00 0.00 30.24 27.51 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 0.96 -0.03 -3.89 2.61 4.19 -1.21 -5.13 117.16 114.66 1whb n TYR 145 Ca 0.50 -0.52 -0.09 0.00 3.31 0.00 0.00 57.90 61.10 1whb n TYR 145 Cb 0.53 0.45 -0.08 0.00 0.49 0.00 0.00 39.34 40.73 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 -0.00 0.14 0.20 2.97 -4.23 -1.25 -3.28 115.64 110.18 1whb s THR 146 Ca 0.03 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1whb s THR 146 Cb 0.04 -1.15 -0.09 0.00 1.34 0.00 0.00 72.50 72.65 1whb s THR 146 CO -0.02 -0.64 1.48 0.71 -0.54 0.00 0.00 174.62 175.62 1whb h THR 147 N 3.17 1.42 -3.45 3.99 1.35 -1.73 -3.42 112.91 114.23 1whb h THR 147 Ca -0.33 -2.21 -0.64 0.00 -0.55 0.00 0.00 66.41 62.68 1whb h THR 147 Cb 1.19 2.16 -0.37 0.00 -1.73 0.00 0.00 68.15 69.41 1whb h THR 147 CO 0.54 0.65 -0.82 0.21 -0.25 0.00 0.00 175.52 175.85 1whb s ASN 148 N -6.92 3.58 -0.15 5.36 3.84 -1.26 -4.96 114.94 114.43 1whb s ASN 148 Ca -0.04 -0.96 0.14 0.00 0.21 0.00 0.00 52.86 52.21 1whb s ASN 148 Cb 0.11 -1.35 -0.19 0.00 -0.55 0.00 0.00 41.25 39.26 1whb s ASN 148 CO 0.81 -0.13 0.06 0.00 -2.79 0.00 0.00 177.10 175.06 1whb n ALA 149 N 4.61 1.63 -1.98 1.71 0.00 -1.26 -4.68 120.51 120.55 1whb n ALA 149 Ca -0.16 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 51.85 1whb n ALA 149 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 1whb n ALA 149 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1whb n LYS 150 N -2.57 3.60 -0.04 0.00 4.81 -1.26 -4.54 118.16 118.15 1whb n LYS 150 Ca -0.25 -3.10 -0.21 0.00 -0.87 0.00 0.00 58.31 53.88 1whb n LYS 150 Cb 1.00 -2.95 -0.13 0.00 0.02 0.00 0.00 35.03 32.96 1whb n LYS 150 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1whb n VAL 151 N 3.55 1.68 -3.35 3.15 0.31 -1.26 -5.02 118.33 117.39 1whb n VAL 151 Ca 0.52 -0.52 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1whb n VAL 151 Cb 0.33 -1.75 0.08 0.00 -0.91 0.00 0.00 33.84 31.60 1whb n VAL 151 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1whb n SER 152 N -3.66 -3.02 -4.79 4.52 2.88 -1.26 -4.99 113.62 103.31 1whb n SER 152 Ca -0.36 -0.62 -0.29 0.00 -1.33 0.00 0.00 58.87 56.27 1whb n SER 152 Cb 0.97 -5.01 0.13 0.00 -0.75 0.00 0.00 64.21 59.54 1whb n SER 152 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whb s GLY 153 N -4.11 1.59 1.00 0.46 0.00 -1.26 -4.98 107.32 100.01 1whb s GLY 153 Ca 0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 1whb s GLY 153 CO 0.71 0.09 1.09 2.56 0.00 0.00 0.00 173.10 177.55 1whb s PRO 154 N -5.24 0.41 0.00 2.90 0.04 -1.26 -4.06 135.00 127.79 1whb s PRO 154 Ca 0.63 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1whb s PRO 154 Cb -0.15 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1whb s PRO 154 CO 0.54 -2.74 0.00 0.43 0.04 0.00 0.00 177.00 175.26 1whb n SER 155 N -4.18 0.00 -3.82 6.66 7.64 -1.26 -4.50 113.62 114.16 1whb n SER 155 Ca 0.05 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 1whb n SER 155 Cb 0.57 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.61 1whb n SER 155 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whb s SER 156 N -3.01 0.41 0.00 6.43 0.01 -1.26 -5.26 113.70 111.02 1whb s SER 156 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1whb s SER 156 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1whb s SER 156 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16