#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 0.14 0.07 1.61 1.04 -1.26 -5.01 113.70 110.29 1whb s SER 2 Ca 0.00 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1whb s SER 2 Cb 0.00 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1whb s SER 2 CO 0.00 -4.66 0.00 -1.54 0.98 0.00 0.00 173.24 168.02 1whb n SER 3 N -5.19 -0.23 0.00 7.02 3.41 -1.26 -5.13 113.62 112.24 1whb n SER 3 Ca 0.08 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1whb n SER 3 Cb 0.57 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1whb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 4 N 0.85 1.54 5.00 5.00 0.00 -1.26 -4.95 105.19 111.37 1whb n GLY 4 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 5.55 0.00 -3.72 1.61 7.64 -1.26 -4.56 113.62 118.88 1whb n SER 5 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1whb n SER 5 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1whb n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whb s SER 6 N 0.00 -0.24 0.00 6.43 0.15 -1.26 -5.12 113.70 113.66 1whb s SER 6 Ca 0.00 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1whb s SER 6 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1whb s SER 6 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1whb n GLY 7 N 4.32 3.34 3.72 9.45 0.00 -1.26 -5.14 105.19 119.62 1whb n GLY 7 Ca -0.24 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1whb n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whb s LYS 8 N -2.02 2.11 0.00 1.61 -2.85 -1.26 -4.84 119.74 112.49 1whb s LYS 8 Ca 0.00 1.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.87 1whb s LYS 8 Cb 0.00 -1.81 0.00 0.00 -2.06 0.00 0.00 37.83 33.96 1whb s LYS 8 CO 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 175.35 173.56 1whb n GLU 10 N -1.11 0.47 -0.89 0.00 1.02 -1.26 -4.40 120.64 114.47 1whb n GLU 10 Ca 0.00 -0.71 -0.02 0.00 -0.02 0.00 0.00 57.16 56.42 1whb n GLU 10 Cb 0.00 -3.26 -0.02 0.00 -0.02 0.00 0.00 31.44 28.14 1whb n GLU 10 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1whb n THR 11 N 8.26 0.00 -2.43 2.62 -1.04 -1.26 -4.90 114.28 115.53 1whb n THR 11 Ca 0.50 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1whb n THR 11 Cb 0.38 0.47 0.01 0.00 -1.82 0.00 0.00 70.33 69.37 1whb n THR 11 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1whb n LYS 12 N 0.11 0.38 -1.55 -2.82 4.76 -1.26 -5.08 118.16 112.69 1whb n LYS 12 Ca -0.09 -1.88 -0.40 0.00 -2.87 0.00 0.00 58.31 53.08 1whb n LYS 12 Cb 0.74 -0.06 -0.04 0.00 -1.84 0.00 0.00 35.03 33.83 1whb n LYS 12 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1whb n GLU 13 N 0.01 1.25 -1.01 1.97 4.71 -1.26 -4.80 120.64 121.52 1whb n GLU 13 Ca -0.06 0.18 -0.13 0.00 -0.01 0.00 0.00 57.16 57.14 1whb n GLU 13 Cb 0.95 -3.19 0.19 0.00 -1.01 0.00 0.00 31.44 28.37 1whb n GLU 13 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1whb n LYS 14 N 8.84 2.04 -2.69 3.49 5.02 -1.26 -4.53 118.16 129.07 1whb n LYS 14 Ca 0.37 -3.16 -0.04 0.00 -2.02 0.00 0.00 58.31 53.47 1whb n LYS 14 Cb 0.46 -1.97 0.12 0.00 -0.02 0.00 0.00 35.03 33.62 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whb n GLY 15 N -1.12 1.81 3.13 0.72 0.00 -1.26 -4.93 105.19 103.53 1whb n GLY 15 Ca 0.44 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.29 1.98 -0.04 4.61 0.00 -1.26 -3.16 121.76 123.59 1whb s ALA 16 Ca 0.15 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1whb s ALA 16 Cb 0.43 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1whb s ALA 16 CO -0.10 0.04 -0.21 -1.50 0.00 0.00 0.00 175.76 173.98 1whb s ILE 17 N 0.75 2.47 0.57 0.00 2.07 -1.13 -4.94 121.20 120.98 1whb s ILE 17 Ca -0.10 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1whb s ILE 17 Cb -0.16 -1.91 0.04 0.00 0.13 0.00 0.00 42.46 40.56 1whb s ILE 17 CO 0.01 0.58 0.80 0.42 -1.91 0.00 0.00 174.94 174.85 1whb s THR 18 N -0.61 2.61 0.33 4.00 -4.23 -1.26 -1.54 115.64 114.93 1whb s THR 18 Ca 0.09 -0.62 0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1whb s THR 18 Cb -0.11 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.80 1whb s THR 18 CO -0.00 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.83 1whb h ALA 19 N -0.01 1.22 -0.42 3.99 0.00 -1.97 -2.84 119.26 119.22 1whb h ALA 19 Ca -0.42 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.01 1whb h ALA 19 Cb 1.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1whb h ALA 19 CO 0.53 0.56 -0.08 -0.22 0.00 0.00 0.00 179.25 180.04 1whb h LYS 20 N 0.08 0.73 -0.30 0.00 3.11 -2.00 -2.48 116.57 115.71 1whb h LYS 20 Ca 0.01 -0.22 -0.12 0.00 -2.81 0.00 0.00 60.65 57.50 1whb h LYS 20 Cb 0.78 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1whb h LYS 20 CO 0.06 0.80 -0.27 0.93 -2.81 0.00 0.00 179.45 178.16 1whb h GLU 21 N 0.67 0.72 -0.77 1.90 5.08 -1.91 -2.15 114.58 118.12 1whb h GLU 21 Ca 0.12 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1whb h GLU 21 Cb 0.53 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1whb h GLU 21 CO 0.03 0.98 0.51 1.25 -1.00 0.00 0.00 179.01 180.78 1whb h LEU 22 N 0.47 0.89 -0.60 1.33 5.85 -1.36 -0.56 115.31 121.33 1whb h LEU 22 Ca 0.05 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 1whb h LEU 22 Cb 0.83 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1whb h LEU 22 CO 0.07 0.65 -0.67 0.22 -0.34 0.00 0.00 178.44 178.36 1whb h TYR 23 N 1.05 0.19 -0.03 1.25 3.20 -1.36 -0.77 116.97 120.49 1whb h TYR 23 Ca 0.28 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 1whb h TYR 23 Cb -0.11 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1whb h TYR 23 CO 0.00 0.77 -0.68 1.15 -1.64 0.00 0.00 178.16 177.76 1whb h THR 24 N 0.10 1.44 0.04 1.81 2.02 -0.65 -2.24 112.91 115.43 1whb h THR 24 Ca -0.01 -2.21 -0.26 0.00 0.77 0.00 0.00 66.41 64.70 1whb h THR 24 Cb 1.20 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 1whb h THR 24 CO 0.10 0.64 -1.34 0.24 0.37 0.00 0.00 175.52 175.53 1whb h MET 25 N 0.10 0.09 -0.14 6.66 2.86 -1.05 -3.18 114.93 120.26 1whb h MET 25 Ca -0.01 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1whb h MET 25 Cb 1.21 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1whb h MET 25 CO 0.10 0.92 -0.13 0.52 1.06 0.00 0.00 176.91 179.37 1whb h MET 26 N 0.02 0.35 -0.79 1.72 2.07 -1.12 -3.20 114.93 113.97 1whb h MET 26 Ca -0.15 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.30 1whb h MET 26 Cb 1.91 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 31.61 1whb h MET 26 CO 0.13 0.73 0.51 1.79 1.07 0.00 0.00 176.91 181.13 1whb h THR 27 N -0.02 1.21 -3.93 2.22 1.35 -1.54 -3.42 112.91 108.78 1whb h THR 27 Ca 0.02 -0.42 -0.51 0.00 -0.55 0.00 0.00 66.41 64.96 1whb h THR 27 Cb 0.66 0.07 0.05 0.00 -1.73 0.00 0.00 68.15 67.20 1whb h THR 27 CO 0.03 0.21 0.52 -0.62 -0.25 0.00 0.00 175.52 175.41 1whb s ASP 28 N -5.96 6.57 -0.18 5.36 -1.08 -1.20 -4.96 116.67 115.22 1whb s ASP 28 Ca -0.13 2.39 0.14 0.00 -0.52 0.00 0.00 52.55 54.43 1whb s ASP 28 Cb 0.15 -2.62 -0.21 0.00 -1.46 0.00 0.00 42.92 38.78 1whb s ASP 28 CO 0.79 -0.64 0.04 1.17 0.52 0.00 0.00 175.17 177.04 1whb n LYS 29 N 0.20 1.06 0.20 4.34 4.81 -1.26 -4.38 118.16 123.13 1whb n LYS 29 Ca 0.04 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1whb n LYS 29 Cb 0.46 -1.45 0.62 0.00 0.02 0.00 0.00 35.03 34.67 1whb n LYS 29 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1whb h ASN 30 N 0.00 0.06 -3.44 3.14 -0.73 -1.94 -3.39 115.58 109.28 1whb h ASN 30 Ca -0.48 -0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.04 1whb h ASN 30 Cb 2.06 -0.01 -0.24 0.00 0.27 0.00 0.00 38.32 40.40 1whb h ASN 30 CO 0.02 0.04 -0.67 -0.63 -0.37 0.00 0.00 177.43 175.81 1whb s ILE 31 N -5.12 3.86 0.79 2.57 1.01 -1.26 -5.10 121.20 117.95 1whb s ILE 31 Ca -0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1whb s ILE 31 Cb 0.17 -2.75 0.08 0.00 0.01 0.00 0.00 42.46 39.98 1whb s ILE 31 CO 0.68 0.42 1.13 -0.44 0.00 0.00 0.00 174.94 176.74 1whb s SER 32 N 1.12 4.50 -0.26 3.58 0.01 -1.26 -4.85 113.70 116.53 1whb s SER 32 Ca 0.02 0.62 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 1whb s SER 32 Cb -0.14 -1.13 0.18 0.00 0.21 0.00 0.00 66.02 65.14 1whb s SER 32 CO 0.01 -1.87 1.29 -0.22 0.41 0.00 0.00 173.24 172.86 1whb s LEU 33 N -5.49 -0.10 0.02 2.44 2.96 -1.26 -3.37 118.68 113.88 1whb s LEU 33 Ca 0.62 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1whb s LEU 33 Cb -0.10 1.24 -0.02 0.00 0.50 0.00 0.00 46.19 47.81 1whb s LEU 33 CO 0.48 -0.10 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.77 1whb s ILE 34 N -1.13 0.10 0.12 6.68 1.01 -1.22 -5.02 121.20 121.75 1whb s ILE 34 Ca 0.07 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1whb s ILE 34 Cb -0.01 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1whb s ILE 34 CO -0.06 -0.48 -0.22 -0.63 0.00 0.00 0.00 174.94 173.56 1whb s ILE 35 N -1.42 1.84 -0.02 2.92 1.01 -1.26 -1.08 121.20 123.19 1whb s ILE 35 Ca -0.16 -1.66 -0.00 0.00 0.00 0.00 0.00 60.65 58.84 1whb s ILE 35 Cb -0.10 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.71 1whb s ILE 35 CO -0.01 -0.08 0.03 -0.04 0.00 0.00 0.00 174.94 174.85 1whb s MET 36 N -2.10 -0.02 -0.63 2.79 -1.94 -1.06 0.10 119.30 116.44 1whb s MET 36 Ca 0.10 0.20 -0.24 0.00 -1.71 0.00 0.00 55.69 54.04 1whb s MET 36 Cb -0.09 -0.29 0.05 0.00 2.01 0.00 0.00 34.83 36.51 1whb s MET 36 CO 0.05 -0.18 0.99 -0.51 -0.01 0.00 0.00 175.02 175.36 1whb s ASP 37 N 1.18 6.23 -1.26 3.03 1.11 -0.78 -1.41 116.67 124.77 1whb s ASP 37 Ca -0.08 -0.69 -0.14 0.00 0.18 0.00 0.00 52.55 51.83 1whb s ASP 37 Cb -0.13 -2.44 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1whb s ASP 37 CO -0.03 -1.41 2.31 0.00 1.18 0.00 0.00 175.17 177.22 1whb n ALA 38 N 7.82 5.39 -3.64 5.23 0.00 -1.24 -2.40 120.51 131.67 1whb n ALA 38 Ca -0.01 -3.39 -0.11 0.00 0.00 0.00 0.00 53.44 49.93 1whb n ALA 38 Cb 0.47 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 1whb n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whb n ARG 39 N 5.44 0.27 -0.77 0.00 3.00 -1.16 -4.83 116.66 118.61 1whb n ARG 39 Ca 0.57 -1.72 -0.29 0.00 -0.01 0.00 0.00 57.85 56.39 1whb n ARG 39 Cb 0.32 1.48 0.24 0.00 0.00 0.00 0.00 32.46 34.50 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 -2.64 -1.23 0.15 5.56 3.52 -1.26 -0.38 118.95 122.67 1whb s ARG 40 Ca 0.20 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.20 1whb s ARG 40 Cb 0.01 -1.56 -0.08 0.00 -1.56 0.00 0.00 34.95 31.76 1whb s ARG 40 CO 0.14 -3.81 1.34 1.98 -0.81 0.00 0.00 175.30 174.14 1whb h MET 41 N -2.66 0.12 -0.04 5.12 4.05 -1.93 -3.22 114.93 116.37 1whb h MET 41 Ca -0.52 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 58.63 1whb h MET 41 Cb 1.33 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1whb h MET 41 CO 0.43 0.97 -0.49 0.37 0.23 0.00 0.00 176.91 178.42 1whb h GLN 42 N 0.05 0.10 -0.39 0.39 4.15 -2.00 -3.04 115.11 114.38 1whb h GLN 42 Ca -0.04 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1whb h GLN 42 Cb 1.62 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.30 1whb h GLN 42 CO 0.14 0.58 0.07 -0.44 -1.93 0.00 0.00 178.83 177.24 1whb h ASP 43 N 0.08 0.62 -0.62 -0.69 3.32 -1.91 -2.13 116.42 115.10 1whb h ASP 43 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1whb h ASP 43 Cb 0.90 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1whb h ASP 43 CO 0.07 0.72 0.41 0.22 -1.72 0.00 0.00 179.24 178.94 1whb h TYR 44 N 0.50 0.78 -0.86 4.55 3.20 -1.58 0.60 116.97 124.16 1whb h TYR 44 Ca 0.12 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1whb h TYR 44 Cb 0.36 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1whb h TYR 44 CO 0.02 0.49 0.43 1.96 -1.64 0.00 0.00 178.16 179.42 1whb h GLN 45 N 0.84 1.23 0.07 1.82 1.08 -1.42 -3.30 115.11 115.43 1whb h GLN 45 Ca 0.23 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1whb h GLN 45 Cb -0.10 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.11 1whb h GLN 45 CO -0.05 0.94 -0.03 0.22 -0.95 0.00 0.00 178.83 178.95 1whb h ASP 46 N 1.23 -0.08 -3.91 1.46 1.82 -0.90 -3.46 116.42 112.57 1whb h ASP 46 Ca 0.30 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.32 1whb h ASP 46 Cb 0.10 0.02 -0.31 0.00 0.68 0.00 0.00 39.33 39.82 1whb h ASP 46 CO -0.04 -0.01 -0.86 -0.94 -1.61 0.00 0.00 179.24 175.78 1whb s SER 47 N -2.91 2.56 0.17 2.28 1.04 0.16 -4.72 113.70 112.28 1whb s SER 47 Ca -0.01 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 1whb s SER 47 Cb 0.00 -0.73 0.05 0.00 0.10 0.00 0.00 66.02 65.44 1whb s SER 47 CO 0.04 0.19 0.56 0.00 0.98 0.00 0.00 173.24 175.00 1whb s ILE 49 N -3.79 5.01 0.25 0.00 1.01 -1.26 -1.16 121.20 121.25 1whb s ILE 49 Ca 0.03 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 1whb s ILE 49 Cb -0.01 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 1whb s ILE 49 CO -0.10 0.04 1.14 -0.76 0.00 0.00 0.00 174.94 175.27 1whb s LEU 50 N -2.55 4.51 -1.32 2.97 1.43 -1.22 -3.32 118.68 119.18 1whb s LEU 50 Ca 0.43 2.28 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 1whb s LEU 50 Cb -0.12 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1whb s LEU 50 CO 0.21 -0.24 1.15 1.41 0.23 0.00 0.00 176.35 179.11 1whb n HIS 51 N 1.65 -2.78 -4.28 0.29 8.25 -1.26 -4.96 115.22 112.12 1whb n HIS 51 Ca 0.01 0.99 -0.16 0.00 -0.26 0.00 0.00 57.72 58.31 1whb n HIS 51 Cb 0.45 -4.98 -0.10 0.00 1.12 0.00 0.00 29.99 26.48 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 -3.40 2.05 0.38 0.41 1.04 -1.21 -4.75 113.70 108.23 1whb s SER 52 Ca 0.53 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.98 1whb s SER 52 Cb -0.23 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1whb s SER 52 CO 0.72 -0.28 0.56 -0.22 0.98 0.00 0.00 173.24 174.99 1whb s LEU 53 N -3.22 3.84 0.09 2.42 2.96 0.29 -4.95 118.68 120.10 1whb s LEU 53 Ca 0.19 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 1whb s LEU 53 Cb 0.02 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1whb s LEU 53 CO 0.03 -0.55 -0.12 -0.55 -1.32 0.00 0.00 176.35 173.84 1whb s SER 54 N -4.19 1.60 -0.22 3.68 0.15 -1.26 -1.86 113.70 111.60 1whb s SER 54 Ca 0.46 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1whb s SER 54 Cb -0.10 -0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.30 1whb s SER 54 CO 0.34 -0.16 0.33 0.54 1.20 0.00 0.00 173.24 175.49 1whb s VAL 55 N -1.84 -0.52 0.23 4.45 0.11 -1.01 -4.59 120.40 117.22 1whb s VAL 55 Ca 0.02 -0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1whb s VAL 55 Cb -0.07 -0.73 -0.11 0.00 -1.53 0.00 0.00 36.38 33.95 1whb s VAL 55 CO 0.02 -0.09 1.56 -2.16 -3.33 0.00 0.00 175.10 171.09 1whb s PRO 56 N 2.49 4.19 0.53 1.54 0.04 -1.23 -2.97 135.00 139.58 1whb s PRO 56 Ca 0.09 2.44 0.18 0.00 0.04 0.00 0.00 61.00 63.75 1whb s PRO 56 Cb -0.15 -3.09 1.34 0.00 0.04 0.00 0.00 34.50 32.63 1whb s PRO 56 CO -0.14 -0.58 2.15 1.49 0.04 0.00 0.00 177.00 179.96 1whb h GLU 57 N 5.76 0.00 -0.36 4.56 4.81 -0.99 -1.50 114.58 126.87 1whb h GLU 57 Ca -0.45 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 1whb h GLU 57 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1whb h GLU 57 CO 0.85 0.01 0.25 1.49 -0.73 0.00 0.00 179.01 180.89 1whb h GLU 58 N 0.00 0.03 0.03 1.92 4.81 -1.90 -0.68 114.58 118.79 1whb h GLU 58 Ca -0.00 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1whb h GLU 58 Cb 0.03 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1whb h GLU 58 CO 0.00 0.02 -1.29 0.00 -0.73 0.00 0.00 179.01 177.01 1whb h ALA 59 N 1.82 0.43 -1.92 2.92 0.00 -1.57 -3.43 119.26 117.51 1whb h ALA 59 Ca 0.17 -1.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.39 1whb h ALA 59 Cb 0.63 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1whb h ALA 59 CO -0.01 1.30 0.57 0.42 0.00 0.00 0.00 179.25 181.54 1whb s ILE 60 N -2.66 4.47 0.29 0.00 1.01 -0.26 -4.63 121.20 119.42 1whb s ILE 60 Ca -0.03 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.41 1whb s ILE 60 Cb 0.09 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1whb s ILE 60 CO 0.83 -0.85 0.10 -0.44 0.00 0.00 0.00 174.94 174.58 1whb s SER 61 N 2.29 4.82 -0.90 3.58 0.01 -1.26 -4.89 113.70 117.35 1whb s SER 61 Ca 0.36 -0.61 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 1whb s SER 61 Cb -0.10 -0.92 -0.06 0.00 0.21 0.00 0.00 66.02 65.15 1whb s SER 61 CO 0.26 -0.13 1.99 -2.16 0.41 0.00 0.00 173.24 173.61 1whb s PRO 62 N -3.78 2.46 0.00 12.44 0.04 -1.26 -3.57 135.00 141.33 1whb s PRO 62 Ca 0.34 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1whb s PRO 62 Cb -0.05 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1whb s PRO 62 CO 0.22 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 174.16 1whb n GLY 63 N 6.81 0.72 3.55 0.56 0.00 -1.26 -4.99 105.19 110.58 1whb n GLY 63 Ca 0.41 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.26 0.66 0.51 1.61 -7.23 -1.23 -5.18 120.40 108.28 1whb s VAL 64 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1whb s VAL 64 Cb 0.00 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1whb s VAL 64 CO 0.00 0.00 0.05 0.35 -0.31 0.00 0.00 175.10 175.19 1whb n THR 65 N -0.97 0.00 0.14 5.32 -2.24 -1.26 -4.49 114.28 110.78 1whb n THR 65 Ca -0.08 -2.35 0.01 0.00 -2.27 0.00 0.00 64.05 59.36 1whb n THR 65 Cb 0.65 0.42 0.34 0.00 -2.10 0.00 0.00 70.33 69.64 1whb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1whb h ALA 66 N 1.19 1.37 -0.20 6.98 0.00 -1.72 -2.61 119.26 124.28 1whb h ALA 66 Ca -0.41 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1whb h ALA 66 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1whb h ALA 66 CO 0.68 0.45 -0.22 0.77 0.00 0.00 0.00 179.25 180.93 1whb h SER 67 N 0.12 0.35 0.74 0.00 0.02 -1.93 -1.70 113.55 111.15 1whb h SER 67 Ca 0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1whb h SER 67 Cb 0.59 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1whb h SER 67 CO 0.04 0.58 -0.35 -0.25 -1.14 0.00 0.00 176.83 175.71 1whb h TRP 68 N 0.32 -0.92 -0.93 3.45 2.91 -1.86 -2.42 115.95 116.50 1whb h TRP 68 Ca 0.05 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1whb h TRP 68 Cb 0.57 0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.47 1whb h TRP 68 CO 0.01 -0.55 0.56 0.82 -1.03 0.00 0.00 178.44 178.25 1whb h ILE 69 N -1.08 1.25 -0.19 2.65 2.04 -1.55 -1.60 117.51 119.04 1whb h ILE 69 Ca -0.10 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1whb h ILE 69 Cb 0.78 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1whb h ILE 69 CO 0.17 0.27 0.17 -0.08 0.00 0.00 0.00 178.15 178.68 1whb h GLU 70 N 1.28 0.00 0.00 2.37 4.81 -1.23 -0.33 114.58 121.48 1whb h GLU 70 Ca 0.33 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.33 1whb h GLU 70 Cb -0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1whb h GLU 70 CO -0.06 0.00 -1.17 0.00 -0.73 0.00 0.00 179.01 177.05 1whb h ALA 71 N 1.83 0.45 -3.48 2.92 0.00 -0.78 -3.41 119.26 116.78 1whb h ALA 71 Ca 0.09 -1.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.31 1whb h ALA 71 Cb 0.44 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.81 1whb h ALA 71 CO -0.00 1.32 -0.67 -1.01 0.00 0.00 0.00 179.25 178.89 1whb s HIS 72 N -2.68 3.32 0.13 0.00 3.76 -0.14 -5.08 115.29 114.61 1whb s HIS 72 Ca -0.00 -3.04 -0.15 0.00 -0.15 0.00 0.00 55.06 51.72 1whb s HIS 72 Cb 0.09 -2.79 0.03 0.00 1.11 0.00 0.00 32.58 31.02 1whb s HIS 72 CO 0.82 -0.83 0.38 -0.51 -0.85 0.00 0.00 174.74 173.75 1whb s LEU 73 N 0.26 0.54 1.11 0.89 1.43 -1.23 -4.75 118.68 116.92 1whb s LEU 73 Ca 0.14 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1whb s LEU 73 Cb -0.23 1.72 0.11 0.00 0.03 0.00 0.00 46.19 47.83 1whb s LEU 73 CO -0.04 -0.87 0.01 -2.65 0.23 0.00 0.00 176.35 173.03 1whb n PRO 74 N -0.22 -1.79 0.07 1.29 -0.02 -1.26 -4.80 135.00 128.28 1whb n PRO 74 Ca -0.14 -0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 60.61 1whb n PRO 74 Cb 0.63 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.20 0.73 0.32 2.55 3.32 -2.01 -3.07 116.42 116.06 1whb h ASP 75 Ca -0.48 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 55.72 1whb h ASP 75 Cb 1.26 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1whb h ASP 75 CO 0.33 1.51 -0.33 -0.67 -1.72 0.00 0.00 179.24 178.37 1whb n ASP 76 N -3.93 0.85 0.00 6.45 2.03 -1.26 -3.90 116.55 116.79 1whb n ASP 76 Ca -0.14 -0.69 -0.05 0.00 0.52 0.00 0.00 54.79 54.44 1whb n ASP 76 Cb 0.91 0.16 -0.11 0.00 -0.72 0.00 0.00 41.12 41.36 1whb n ASP 76 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1whb h SER 77 N 0.82 0.00 -0.29 1.67 0.87 -1.91 -3.35 113.55 111.37 1whb h SER 77 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1whb h SER 77 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1whb h SER 77 CO 0.00 0.82 0.30 0.11 -0.53 0.00 0.00 176.83 177.52 1whb h LYS 78 N 0.00 0.00 0.07 2.24 1.57 -1.65 -0.47 116.57 118.33 1whb h LYS 78 Ca -0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1whb h LYS 78 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1whb h LYS 78 CO 0.07 0.00 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.47 1whb h ASP 79 N 0.00 -0.08 -0.25 0.86 3.32 -1.80 -3.24 116.42 115.24 1whb h ASP 79 Ca 0.14 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1whb h ASP 79 Cb 0.73 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1whb h ASP 79 CO -0.00 -0.02 0.22 0.74 -1.72 0.00 0.00 179.24 178.46 1whb h THR 80 N -0.16 0.60 -0.99 0.35 2.02 -1.72 -1.42 112.91 111.59 1whb h THR 80 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1whb h THR 80 Cb 0.07 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 1whb h THR 80 CO 0.02 0.00 0.64 -0.25 0.37 0.00 0.00 175.52 176.29 1whb h TRP 81 N 0.00 1.18 0.00 3.16 2.91 -1.15 -1.11 115.95 120.94 1whb h TRP 81 Ca 0.12 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 60.04 1whb h TRP 81 Cb 0.57 -0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1whb h TRP 81 CO 0.00 0.60 -0.60 0.87 -1.03 0.00 0.00 178.44 178.27 1whb h LYS 82 N 1.14 0.00 0.00 2.65 1.57 -1.28 -2.97 116.57 117.69 1whb h LYS 82 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1whb h LYS 82 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1whb h LYS 82 CO -0.18 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 180.93 1whb n LYS 83 N -3.54 0.05 -0.01 3.15 4.76 -0.46 -3.29 118.16 118.83 1whb n LYS 83 Ca -0.00 0.15 0.20 0.00 -2.87 0.00 0.00 58.31 55.80 1whb n LYS 83 Cb 0.67 -1.50 0.69 0.00 -1.84 0.00 0.00 35.03 33.05 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 0.01 0.00 1.97 -0.00 -1.29 0.22 114.38 115.28 1whb h ARG 84 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1whb h ARG 84 Cb 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1whb h ARG 84 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 179.97 180.75 1whb h GLY 85 N 0.01 0.00 0.46 0.08 0.00 -1.80 -3.31 103.07 98.51 1whb h GLY 85 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.44 1whb h GLY 85 CO -0.00 0.00 -0.67 -0.57 0.00 0.00 0.00 176.54 175.29 1whb h ASN 86 N 0.00 0.31 -2.68 0.19 -1.24 -0.81 -3.47 115.58 107.89 1whb h ASN 86 Ca 0.00 -0.94 -0.32 0.00 0.71 0.00 0.00 56.30 55.75 1whb h ASN 86 Cb 0.93 -0.10 0.19 0.00 0.73 0.00 0.00 38.32 40.07 1whb h ASN 86 CO 0.00 1.31 -0.16 1.33 -1.29 0.00 0.00 177.43 178.63 1whb n VAL 87 N -4.25 0.00 -0.01 2.57 0.24 -0.93 -5.03 118.33 110.91 1whb n VAL 87 Ca -0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.13 1whb n VAL 87 Cb 0.73 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 32.23 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 -4.93 0.13 -3.01 7.34 4.71 -1.26 -4.70 120.64 118.92 1whb n GLU 88 Ca 0.12 0.05 -0.23 0.00 -0.01 0.00 0.00 57.16 57.09 1whb n GLU 88 Cb 0.53 -0.62 0.01 0.00 -1.01 0.00 0.00 31.44 30.35 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 -1.64 3.28 -0.01 -0.32 1.51 -1.22 -3.18 117.35 115.78 1whb s TYR 89 Ca -0.07 0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 56.22 1whb s TYR 89 Cb 0.01 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 1whb s TYR 89 CO 0.11 -0.29 0.12 0.08 -1.11 0.00 0.00 175.55 174.45 1whb s VAL 90 N -2.54 0.07 0.06 0.71 1.01 -1.26 -3.40 120.40 115.05 1whb s VAL 90 Ca 0.47 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1whb s VAL 90 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1whb s VAL 90 CO 0.38 -0.30 0.06 -0.69 0.00 0.00 0.00 175.10 174.55 1whb s VAL 91 N -1.04 0.18 0.47 2.92 1.01 -0.24 -2.77 120.40 120.93 1whb s VAL 91 Ca -0.11 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.37 1whb s VAL 91 Cb -0.06 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1whb s VAL 91 CO 0.01 -0.84 0.09 0.18 0.00 0.00 0.00 175.10 174.54 1whb n LEU 92 N 0.12 0.00 -4.28 3.92 4.77 -0.93 -2.56 117.00 118.03 1whb n LEU 92 Ca -0.15 -3.29 -0.18 0.00 -0.03 0.00 0.00 56.01 52.36 1whb n LEU 92 Cb 0.61 0.79 -0.09 0.00 -2.33 0.00 0.00 43.42 42.40 1whb n LEU 92 CO 0.25 -0.49 -0.15 -0.76 -1.33 0.00 0.00 177.39 174.91 1whb s LEU 93 N 0.00 1.63 0.00 2.23 1.43 -0.50 -2.30 118.68 121.17 1whb s LEU 93 Ca 0.13 -1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 51.28 1whb s LEU 93 Cb 0.01 0.45 0.09 0.00 0.03 0.00 0.00 46.19 46.77 1whb s LEU 93 CO 0.09 -0.99 1.30 -0.90 0.23 0.00 0.00 176.35 176.07 1whb n ASP 94 N -1.21 -1.17 -0.12 2.29 5.75 -1.26 -3.60 116.55 117.23 1whb n ASP 94 Ca 0.05 -1.21 -0.24 0.00 -0.01 0.00 0.00 54.79 53.38 1whb n ASP 94 Cb 0.63 1.80 -0.11 0.00 -1.03 0.00 0.00 41.12 42.42 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 -0.93 0.22 -2.49 2.11 5.03 -1.26 0.11 117.44 120.23 1whb n TRP 95 Ca 0.05 0.07 -0.03 0.00 3.03 0.00 0.00 57.50 60.62 1whb n TRP 95 Cb 0.58 -1.03 0.07 0.00 -1.03 0.00 0.00 31.31 29.90 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 -3.82 -1.25 -3.84 -5.99 3.72 -1.26 -4.41 117.46 100.62 1whb n PHE 96 Ca -0.47 -1.38 -0.30 0.00 -0.05 0.00 0.00 57.45 55.25 1whb n PHE 96 Cb 0.92 1.12 -0.15 0.00 -0.94 0.00 0.00 39.48 40.44 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 -1.28 4.23 0.75 4.37 1.04 -1.26 -5.03 113.70 116.52 1whb s SER 97 Ca 0.08 -2.05 -0.06 0.00 0.48 0.00 0.00 55.95 54.40 1whb s SER 97 Cb 0.32 -1.19 0.11 0.00 0.10 0.00 0.00 66.02 65.36 1whb s SER 97 CO -0.09 -0.37 1.06 -0.44 0.98 0.00 0.00 173.24 174.38 1whb s SER 98 N 1.07 4.30 0.53 7.02 0.01 -1.26 -4.80 113.70 120.56 1whb s SER 98 Ca 0.12 0.07 0.18 0.00 1.31 0.00 0.00 55.95 57.64 1whb s SER 98 Cb -0.20 -0.51 1.34 0.00 0.21 0.00 0.00 66.02 66.86 1whb s SER 98 CO -0.14 -1.91 2.14 0.00 0.41 0.00 0.00 173.24 173.74 1whb h ALA 99 N -0.75 2.02 0.00 1.44 0.00 -1.84 -0.06 119.26 120.08 1whb h ALA 99 Ca -0.41 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1whb h ALA 99 Cb 1.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1whb h ALA 99 CO 0.47 -0.09 -0.23 0.87 0.00 0.00 0.00 179.25 180.28 1whb h LYS 100 N 0.00 0.00 -0.32 0.00 6.56 -1.97 -3.10 116.57 117.75 1whb h LYS 100 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1whb h LYS 100 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1whb h LYS 100 CO -0.00 0.23 0.00 -0.25 -2.06 0.00 0.00 179.45 177.37 1whb n ASP 101 N -3.18 1.72 -4.47 0.86 8.00 -0.05 -4.77 116.55 114.66 1whb n ASP 101 Ca 0.03 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 1whb n ASP 101 Cb 0.59 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1whb s LEU 102 N -1.01 4.29 -0.45 0.64 1.43 -1.16 -4.84 118.68 117.58 1whb s LEU 102 Ca 0.22 -1.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 1whb s LEU 102 Cb 0.11 -2.44 0.61 0.00 0.03 0.00 0.00 46.19 44.50 1whb s LEU 102 CO 0.15 -1.43 1.89 0.00 0.23 0.00 0.00 176.35 177.19 1whb n GLN 103 N 7.79 2.24 -1.42 1.70 6.02 -1.26 -5.02 117.38 127.43 1whb n GLN 103 Ca 0.05 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 1whb n GLN 103 Cb 0.47 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1whb n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1whb n ILE 104 N -1.03 -4.86 0.00 5.09 -0.00 -1.26 -4.80 119.36 112.50 1whb n ILE 104 Ca 0.57 2.14 0.00 0.00 -0.00 0.00 0.00 62.75 65.47 1whb n ILE 104 Cb 1.49 -2.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.18 1whb n ILE 104 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1whb n GLY 105 N -0.90 2.94 1.76 7.39 0.00 -1.26 -5.04 105.19 110.08 1whb n GLY 105 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.08 0.00 0.10 2.61 -2.24 -1.26 -4.19 114.28 109.22 1whb n THR 106 Ca 0.00 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1whb n THR 106 Cb 0.00 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 67.53 1whb n THR 106 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1whb h THR 107 N -2.91 1.26 -0.13 4.28 2.02 -1.94 -3.10 112.91 112.38 1whb h THR 107 Ca -0.22 -2.80 -0.02 0.00 0.77 0.00 0.00 66.41 64.14 1whb h THR 107 Cb 0.73 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1whb h THR 107 CO 0.13 0.84 -0.00 -0.07 0.37 0.00 0.00 175.52 176.79 1whb h LEU 108 N 0.10 0.23 -0.08 2.58 3.38 -1.92 -0.11 115.31 119.49 1whb h LEU 108 Ca -0.23 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1whb h LEU 108 Cb 2.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 1whb h LEU 108 CO 0.21 0.49 -0.02 0.03 0.09 0.00 0.00 178.44 179.24 1whb h ARG 109 N -0.04 -0.00 -0.08 1.13 2.47 -1.94 0.64 114.38 116.57 1whb h ARG 109 Ca 0.04 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1whb h ARG 109 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1whb h ARG 109 CO 0.01 -0.00 -0.22 0.66 0.56 0.00 0.00 179.97 180.98 1whb h SER 110 N -0.00 0.12 0.07 7.04 4.64 -1.54 0.57 113.55 124.45 1whb h SER 110 Ca 0.04 -0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 1whb h SER 110 Cb 0.07 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1whb h SER 110 CO -0.09 0.35 -1.11 0.25 -0.87 0.00 0.00 176.83 175.36 1whb h LEU 111 N 0.12 0.86 -0.54 5.97 5.85 -0.33 -2.34 115.31 124.90 1whb h LEU 111 Ca 0.02 -0.79 -0.16 0.00 0.84 0.00 0.00 57.88 57.79 1whb h LEU 111 Cb 0.46 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1whb h LEU 111 CO 0.03 1.55 -0.57 0.50 -0.34 0.00 0.00 178.44 179.61 1whb h LYS 112 N 0.27 0.48 0.00 1.25 3.11 0.50 -2.95 116.57 119.23 1whb h LYS 112 Ca -0.16 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1whb h LYS 112 Cb 1.79 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1whb h LYS 112 CO 0.22 0.92 0.00 -0.44 -2.81 0.00 0.00 179.45 177.34 1whb h ASP 113 N 0.37 0.00 -0.39 4.20 5.19 -0.96 -3.12 116.42 121.70 1whb h ASP 113 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1whb h ASP 113 Cb 1.11 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 1whb h ASP 113 CO 0.10 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.23 1whb n ALA 114 N -1.90 3.45 0.00 3.45 0.00 -0.88 0.01 120.51 124.64 1whb n ALA 114 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1whb n ALA 114 Cb 0.43 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.41 0.64 -0.08 0.00 4.77 -1.19 -2.89 117.00 118.67 1whb n LEU 115 Ca 0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 1whb n LEU 115 Cb 0.90 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.93 1whb n LEU 115 CO 0.22 -0.04 -0.99 0.33 -1.33 0.00 0.00 177.39 175.58 1whb n PHE 116 N -2.40 0.00 -0.01 -1.77 7.35 -1.20 -4.67 117.46 114.77 1whb n PHE 116 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1whb n PHE 116 Cb 0.24 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 39.48 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1whb h LYS 117 N -0.57 0.02 -3.80 -4.13 3.64 -1.71 -3.32 116.57 106.70 1whb h LYS 117 Ca -0.37 -0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.22 1whb h LYS 117 Cb 1.29 -0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.84 1whb h LYS 117 CO -0.22 0.01 0.11 -1.58 -2.27 0.00 0.00 179.45 175.50 1whb s TRP 118 N -6.19 3.79 -0.24 1.91 0.23 0.10 -5.02 118.94 113.52 1whb s TRP 118 Ca -0.13 -2.07 -0.09 0.00 -2.03 0.00 0.00 56.10 51.77 1whb s TRP 118 Cb 0.08 -3.80 -0.04 0.00 0.03 0.00 0.00 33.47 29.74 1whb s TRP 118 CO 0.68 -0.98 0.13 -1.21 0.96 0.00 0.00 176.95 176.52 1whb s GLU 119 N 0.04 3.96 -0.24 4.98 2.02 -1.25 -4.34 118.70 123.87 1whb s GLU 119 Ca 0.19 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1whb s GLU 119 Cb -0.10 -3.45 -0.19 0.00 0.10 0.00 0.00 34.13 30.49 1whb s GLU 119 CO -0.09 0.03 -0.15 0.43 0.02 0.00 0.00 175.26 175.50 1whb n SER 120 N 4.35 1.67 -1.49 -0.19 7.64 -1.26 -4.87 113.62 119.48 1whb n SER 120 Ca -0.15 -0.10 -0.01 0.00 1.01 0.00 0.00 58.87 59.62 1whb n SER 120 Cb 0.52 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 1whb n SER 120 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1whb n LYS 121 N -3.19 0.29 -3.34 1.43 0.00 -1.26 -5.12 118.16 106.97 1whb n LYS 121 Ca -0.43 -0.36 -0.09 0.00 0.00 0.00 0.00 58.31 57.43 1whb n LYS 121 Cb 1.02 0.25 -0.08 0.00 0.00 0.00 0.00 35.03 36.22 1whb n LYS 121 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1whb s THR 122 N 0.03 -0.61 -0.22 3.15 -4.23 -1.26 -5.14 115.64 107.35 1whb s THR 122 Ca 0.02 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.40 1whb s THR 122 Cb 0.10 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 73.09 1whb s THR 122 CO -0.03 -0.12 0.03 -0.69 -0.54 0.00 0.00 174.62 173.27 1whb s VAL 123 N 2.55 4.07 0.65 2.29 1.01 -1.26 -4.88 120.40 124.84 1whb s VAL 123 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1whb s VAL 123 Cb -0.15 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1whb s VAL 123 CO -0.16 0.39 0.91 -0.76 0.00 0.00 0.00 175.10 175.48 1whb s LEU 124 N 1.29 3.08 -0.01 3.92 1.02 -1.26 -5.02 118.68 121.69 1whb s LEU 124 Ca 0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.04 1whb s LEU 124 Cb -0.15 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.56 1whb s LEU 124 CO 0.02 -1.54 0.41 0.03 0.02 0.00 0.00 176.35 175.28 1whb h ARG 125 N -0.30 -0.13 -6.21 1.70 2.47 -1.83 -3.47 114.38 106.62 1whb h ARG 125 Ca -0.40 0.01 -0.50 0.00 -1.26 0.00 0.00 59.98 57.83 1whb h ARG 125 Cb 1.29 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 1whb h ARG 125 CO 0.48 -0.08 -0.33 -0.80 0.56 0.00 0.00 179.97 179.80 1whb s ASN 126 N -3.30 5.04 0.02 7.04 0.01 -1.24 -5.08 114.94 117.44 1whb s ASN 126 Ca -0.02 -0.81 -0.25 0.00 -0.71 0.00 0.00 52.86 51.07 1whb s ASN 126 Cb 0.00 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.28 1whb s ASN 126 CO 0.06 -0.81 0.79 -1.61 -1.51 0.00 0.00 177.10 174.02 1whb s GLU 127 N -4.23 4.50 -0.22 -0.60 2.02 -1.26 -4.78 118.70 114.14 1whb s GLU 127 Ca 0.48 1.09 -0.34 0.00 0.02 0.00 0.00 54.97 56.22 1whb s GLU 127 Cb -0.04 -3.39 -0.11 0.00 0.10 0.00 0.00 34.13 30.69 1whb s GLU 127 CO 0.28 0.20 2.03 -2.30 0.02 0.00 0.00 175.26 175.50 1whb n PRO 128 N 3.10 1.67 -4.20 0.39 -0.02 -1.26 -4.80 135.00 129.87 1whb n PRO 128 Ca -0.01 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 1whb n PRO 128 Cb 0.50 -2.62 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 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 5.80 3.86 0.09 2.45 1.02 -1.12 -4.92 118.68 125.87 1whb s LEU 129 Ca 1.00 0.25 -0.24 0.00 0.02 0.00 0.00 54.13 55.16 1whb s LEU 129 Cb -0.73 -1.93 -0.07 0.00 0.02 0.00 0.00 46.19 43.48 1whb s LEU 129 CO 0.50 0.38 0.74 0.54 0.02 0.00 0.00 176.35 178.53 1whb s VAL 130 N -0.95 4.60 0.49 -1.59 0.11 -1.19 -2.19 120.40 119.68 1whb s VAL 130 Ca 0.14 1.59 -0.24 0.00 -2.93 0.00 0.00 61.98 60.55 1whb s VAL 130 Cb -0.12 -4.09 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 1whb s VAL 130 CO 0.04 0.45 1.39 -0.11 -3.33 0.00 0.00 175.10 173.54 1whb n LEU 131 N 2.20 5.23 -4.58 2.54 7.94 -0.97 -2.85 117.00 126.50 1whb n LEU 131 Ca -0.05 1.05 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 1whb n LEU 131 Cb 0.50 -1.58 -0.03 0.00 0.53 0.00 0.00 43.42 42.84 1whb n LEU 131 CO 0.46 -0.39 1.31 -1.61 -1.11 0.00 0.00 177.39 176.05 1whb s GLU 132 N -2.63 3.27 0.00 1.96 8.01 -0.59 -3.27 118.70 125.45 1whb s GLU 132 Ca 0.66 0.60 0.00 0.00 0.01 0.00 0.00 54.97 56.24 1whb s GLU 132 Cb -0.44 -4.14 0.00 0.00 -4.31 0.00 0.00 34.13 25.24 1whb s GLU 132 CO 0.54 -1.96 0.00 0.41 0.01 0.00 0.00 175.26 174.25 1whb n GLY 133 N 5.29 3.04 1.96 -1.39 0.00 -1.26 -4.78 105.19 108.05 1whb n GLY 133 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.60 0.32 -0.02 0.00 -1.20 -4.09 105.19 98.59 1whb n GLY 134 Ca 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 0.99 -0.27 1.61 5.03 0.47 -0.55 116.97 124.25 1whb h TYR 135 Ca 0.00 -0.07 0.08 0.00 2.58 0.00 0.00 58.73 61.32 1whb h TYR 135 Cb 0.00 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 1whb h TYR 135 CO 0.00 0.77 0.20 1.49 -1.32 0.00 0.00 178.16 179.30 1whb h GLU 136 N 0.95 0.00 0.01 1.82 4.57 -1.76 -1.46 114.58 118.71 1whb h GLU 136 Ca 0.22 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.09 1whb h GLU 136 Cb 0.21 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1whb h GLU 136 CO -0.02 0.00 -1.84 -1.71 -1.18 0.00 0.00 179.01 174.26 1whb n ASN 137 N -4.41 0.86 0.11 1.04 5.15 -0.81 -4.09 115.26 113.10 1whb n ASN 137 Ca 0.04 0.33 0.04 0.00 -0.60 0.00 0.00 54.58 54.39 1whb n ASN 137 Cb 0.36 0.03 0.46 0.00 -0.53 0.00 0.00 39.78 40.10 1whb n ASN 137 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1whb h TRP 138 N 0.01 0.30 -0.12 1.20 2.91 -0.10 -1.50 115.95 118.64 1whb h TRP 138 Ca -0.34 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.62 1whb h TRP 138 Cb 2.05 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 30.59 1whb h TRP 138 CO 0.01 0.27 -0.18 -0.07 -1.03 0.00 0.00 178.44 177.44 1whb h LEU 139 N 0.30 0.18 0.02 0.65 3.38 -1.53 0.57 115.31 118.88 1whb h LEU 139 Ca 0.07 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1whb h LEU 139 Cb 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1whb h LEU 139 CO -0.00 0.38 -1.11 -0.07 0.09 0.00 0.00 178.44 177.72 1whb h LEU 140 N 0.18 0.05 0.01 1.67 3.38 -1.48 -2.81 115.31 116.32 1whb h LEU 140 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1whb h LEU 140 Cb 0.43 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1whb h LEU 140 CO 0.03 1.05 -0.37 0.00 0.09 0.00 0.00 178.44 179.24 1whb s TYR 142 N -2.27 0.35 0.27 0.00 2.02 0.19 -4.98 117.35 112.93 1whb s TYR 142 Ca -0.21 -1.74 0.09 0.00 -0.37 0.00 0.00 57.07 54.83 1whb s TYR 142 Cb -0.01 -0.61 0.36 0.00 -0.40 0.00 0.00 41.96 41.30 1whb s TYR 142 CO 0.68 -0.94 1.62 -1.00 -1.57 0.00 0.00 175.55 174.34 1whb h PRO 143 N 5.79 0.09 0.00 -1.71 0.13 -1.58 -2.92 132.00 131.80 1whb h PRO 143 Ca 0.19 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1whb h PRO 143 Cb 0.97 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1whb h PRO 143 CO 0.27 0.64 0.00 -0.56 -0.23 0.00 0.00 178.00 178.12 1whb h GLN 144 N 0.07 0.00 -1.42 0.86 -0.00 -1.92 -3.02 115.11 109.68 1whb h GLN 144 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 1whb h GLN 144 Cb 1.05 0.00 -0.21 0.00 -0.00 0.00 0.00 27.48 28.32 1whb h GLN 144 CO 0.08 0.00 0.63 0.98 -0.00 0.00 0.00 178.83 180.52 1whb n TYR 145 N -3.02 2.28 -3.84 0.06 4.19 -1.10 -4.89 117.16 110.84 1whb n TYR 145 Ca 0.00 -2.38 -0.12 0.00 3.31 0.00 0.00 57.90 58.71 1whb n TYR 145 Cb 0.27 -1.21 -0.09 0.00 0.49 0.00 0.00 39.34 38.79 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 -3.42 0.08 0.21 2.97 -4.23 -1.14 -3.45 115.64 106.66 1whb s THR 146 Ca 0.48 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 1whb s THR 146 Cb 0.37 -0.53 -0.08 0.00 1.34 0.00 0.00 72.50 73.60 1whb s THR 146 CO -0.06 -0.36 1.50 0.74 -0.54 0.00 0.00 174.62 175.90 1whb h THR 147 N 4.07 1.42 -3.36 3.99 2.02 -1.43 -3.41 112.91 116.22 1whb h THR 147 Ca -0.31 -2.19 -0.59 0.00 0.77 0.00 0.00 66.41 64.09 1whb h THR 147 Cb 1.19 2.16 -0.40 0.00 -1.74 0.00 0.00 68.15 69.36 1whb h THR 147 CO 0.41 0.64 -0.76 0.21 0.37 0.00 0.00 175.52 176.40 1whb s ASN 148 N -6.90 3.98 0.06 4.18 2.47 -1.24 -4.97 114.94 112.51 1whb s ASN 148 Ca -0.04 -1.53 0.09 0.00 0.42 0.00 0.00 52.86 51.81 1whb s ASN 148 Cb 0.11 -1.02 -0.22 0.00 -1.45 0.00 0.00 41.25 38.67 1whb s ASN 148 CO 0.81 -0.36 1.06 0.00 -3.72 0.00 0.00 177.10 174.89 1whb h ALA 149 N 8.00 0.50 -1.22 1.71 0.00 -1.83 -3.41 119.26 123.02 1whb h ALA 149 Ca -0.13 -1.11 -0.70 0.00 0.00 0.00 0.00 54.91 52.97 1whb h ALA 149 Cb 1.04 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1whb h ALA 149 CO 0.45 1.37 1.82 -1.59 0.00 0.00 0.00 179.25 181.30 1whb s LYS 150 N -2.67 4.01 -0.22 0.00 -2.85 -1.26 -4.95 119.74 111.81 1whb s LYS 150 Ca -0.01 -2.20 -0.03 0.00 -1.00 0.00 0.00 55.97 52.72 1whb s LYS 150 Cb 0.09 -5.33 -0.00 0.00 -2.06 0.00 0.00 37.83 30.53 1whb s LYS 150 CO 0.82 -2.05 -0.06 0.08 0.10 0.00 0.00 175.35 174.24 1whb s VAL 151 N 3.16 3.22 0.05 1.79 1.01 -1.26 -4.99 120.40 123.39 1whb s VAL 151 Ca 0.49 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1whb s VAL 151 Cb 0.01 -2.46 -0.31 0.00 0.00 0.00 0.00 36.38 33.62 1whb s VAL 151 CO 0.04 0.43 1.08 0.28 0.00 0.00 0.00 175.10 176.93 1whb h SER 152 N 8.09 0.77 -2.64 3.32 0.02 -1.99 -3.50 113.55 117.63 1whb h SER 152 Ca -0.42 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 59.76 1whb h SER 152 Cb 1.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1whb h SER 152 CO 0.61 1.59 0.00 0.61 -1.14 0.00 0.00 176.83 178.50 1whb n GLY 153 N 1.51 -2.39 3.24 -3.77 0.00 -1.26 -5.02 105.19 97.51 1whb n GLY 153 Ca -0.14 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 0.33 -1.04 -2.27 1.61 -0.02 -1.26 -4.67 135.00 127.68 1whb n PRO 154 Ca 0.00 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1whb n PRO 154 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1whb n PRO 154 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1whb n SER 155 N -0.55 -9.20 -0.00 2.55 7.64 -1.26 -5.03 113.62 107.76 1whb n SER 155 Ca 0.01 1.75 -0.01 0.00 1.01 0.00 0.00 58.87 61.64 1whb n SER 155 Cb 0.62 -5.01 -0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1whb n SER 155 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1whb n SER 156 N 1.74 2.54 0.00 6.43 3.41 -1.26 -5.22 113.62 121.26 1whb n SER 156 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1whb n SER 156 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49