#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb n SER 2 N 0.00 1.03 0.00 1.61 3.41 -1.26 -4.98 113.62 113.43 1whb n SER 2 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1whb n SER 2 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1whb n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whb n SER 3 N -3.65 0.33 0.00 4.04 7.64 -1.26 -5.13 113.62 115.60 1whb n SER 3 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1whb n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.21 1.87 3.79 0.23 0.00 -1.26 -5.14 105.19 106.88 1whb n GLY 4 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1whb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whb s SER 5 N 0.00 5.14 1.01 1.61 0.01 -1.26 -5.05 113.70 115.16 1whb s SER 5 Ca 0.00 1.84 -0.16 0.00 1.31 0.00 0.00 55.95 58.94 1whb s SER 5 Cb 0.00 -2.53 0.21 0.00 0.21 0.00 0.00 66.02 63.91 1whb s SER 5 CO 0.00 -1.61 1.26 -0.55 0.41 0.00 0.00 173.24 172.75 1whb s SER 6 N -3.07 2.71 0.00 2.44 0.15 -1.26 -5.07 113.70 109.59 1whb s SER 6 Ca 0.63 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1whb s SER 6 Cb -0.17 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1whb s SER 6 CO 0.47 -3.00 0.00 0.61 1.20 0.00 0.00 173.24 172.52 1whb n GLY 7 N -3.05 2.99 0.84 9.45 0.00 -1.26 -5.10 105.19 109.06 1whb n GLY 7 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.90 1.61 4.76 -1.26 -5.17 118.16 117.21 1whb n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1whb n LYS 8 Cb 0.00 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1whb n GLU 10 N -1.37 0.00 -2.41 0.00 -0.58 -1.26 -5.00 120.64 110.03 1whb n GLU 10 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1whb n GLU 10 Cb 0.10 -0.21 -0.03 0.00 -0.57 0.00 0.00 31.44 30.73 1whb n GLU 10 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1whb s THR 11 N -1.61 3.82 -0.40 2.62 2.01 -1.26 -4.88 115.64 115.94 1whb s THR 11 Ca 0.00 0.72 0.09 0.00 0.31 0.00 0.00 61.69 62.80 1whb s THR 11 Cb 0.00 -4.45 0.27 0.00 0.01 0.00 0.00 72.50 68.33 1whb s THR 11 CO 0.00 -1.15 0.63 1.17 -0.69 0.00 0.00 174.62 174.57 1whb n LYS 12 N 8.59 0.79 -2.37 4.92 3.00 -1.26 -5.12 118.16 126.71 1whb n LYS 12 Ca 0.12 -3.05 -0.41 0.00 -0.00 0.00 0.00 58.31 54.98 1whb n LYS 12 Cb 0.49 -1.34 -0.03 0.00 0.00 0.00 0.00 35.03 34.15 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1whb s GLU 13 N -1.19 4.50 -0.17 1.64 2.12 -1.26 -5.03 118.70 119.31 1whb s GLU 13 Ca 0.35 1.89 -0.05 0.00 0.36 0.00 0.00 54.97 57.53 1whb s GLU 13 Cb 0.22 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.45 1whb s GLU 13 CO -0.12 -0.05 0.09 -1.59 -0.54 0.00 0.00 175.26 173.05 1whb s LYS 14 N -0.53 0.09 -1.00 4.30 -2.85 -1.26 -4.87 119.74 113.62 1whb s LYS 14 Ca 0.51 -0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.35 1whb s LYS 14 Cb -0.33 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 1whb s LYS 14 CO 0.38 -0.66 0.86 0.41 0.10 0.00 0.00 175.35 176.44 1whb n GLY 15 N 5.27 -0.19 3.00 0.59 0.00 -1.26 -4.95 105.19 107.65 1whb n GLY 15 Ca -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.26 0.04 0.02 4.61 0.00 -1.26 -4.02 121.76 117.89 1whb s ALA 16 Ca 0.28 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1whb s ALA 16 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1whb s ALA 16 CO 0.56 -0.16 -0.17 -1.50 0.00 0.00 0.00 175.76 174.48 1whb s ILE 17 N -1.39 1.39 0.28 0.00 2.07 -0.87 -4.89 121.20 117.79 1whb s ILE 17 Ca -0.15 -0.96 0.03 0.00 -1.41 0.00 0.00 60.65 58.15 1whb s ILE 17 Cb -0.09 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1whb s ILE 17 CO -0.01 0.22 0.44 0.42 -1.91 0.00 0.00 174.94 174.10 1whb s THR 18 N -0.66 5.19 0.38 4.00 -4.23 -1.26 -0.45 115.64 118.61 1whb s THR 18 Ca 0.06 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1whb s THR 18 Cb -0.08 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.16 1whb s THR 18 CO 0.01 -0.42 2.01 0.00 -0.54 0.00 0.00 174.62 175.68 1whb h ALA 19 N 1.03 1.59 -0.72 3.99 0.00 -1.96 -2.03 119.26 121.16 1whb h ALA 19 Ca -0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1whb h ALA 19 Cb 1.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1whb h ALA 19 CO 0.61 0.35 0.32 -0.22 0.00 0.00 0.00 179.25 180.31 1whb h LYS 20 N 0.66 1.06 -0.05 0.00 3.11 -2.00 -2.06 116.57 117.29 1whb h LYS 20 Ca 0.17 -0.18 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 1whb h LYS 20 Cb -0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.02 1whb h LYS 20 CO -0.03 0.86 -0.49 0.93 -2.81 0.00 0.00 179.45 177.91 1whb h GLU 21 N 1.03 0.12 -0.28 1.90 5.08 -1.80 -2.87 114.58 117.75 1whb h GLU 21 Ca 0.25 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1whb h GLU 21 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1whb h GLU 21 CO -0.03 0.59 -0.30 1.25 -1.00 0.00 0.00 179.01 179.52 1whb h LEU 22 N 0.10 0.61 -0.20 1.33 5.85 -0.91 -2.71 115.31 119.37 1whb h LEU 22 Ca 0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1whb h LEU 22 Cb 0.90 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1whb h LEU 22 CO 0.07 0.88 -0.06 0.22 -0.34 0.00 0.00 178.44 179.21 1whb h TYR 23 N 0.51 0.45 -0.12 1.25 3.20 -1.22 0.83 116.97 121.86 1whb h TYR 23 Ca 0.06 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1whb h TYR 23 Cb 0.77 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1whb h TYR 23 CO 0.03 0.65 0.08 1.15 -1.64 0.00 0.00 178.16 178.43 1whb h THR 24 N 0.12 1.03 0.02 1.81 2.02 -1.46 -2.17 112.91 114.28 1whb h THR 24 Ca 0.05 -0.05 -0.31 0.00 0.77 0.00 0.00 66.41 66.86 1whb h THR 24 Cb 0.51 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1whb h THR 24 CO 0.02 0.03 -1.82 0.23 0.37 0.00 0.00 175.52 174.35 1whb n MET 25 N -4.52 0.66 0.01 6.66 2.81 -1.03 -3.79 117.12 117.92 1whb n MET 25 Ca -0.01 0.27 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 1whb n MET 25 Cb 0.09 -1.76 0.43 0.00 -0.71 0.00 0.00 33.22 31.27 1whb n MET 25 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1whb h MET 26 N 0.01 0.52 -0.73 0.03 2.07 0.12 -1.76 114.93 115.20 1whb h MET 26 Ca -0.33 -0.03 -0.40 0.00 -2.07 0.00 0.00 59.70 56.86 1whb h MET 26 Cb 2.03 -0.12 -0.23 0.00 -1.87 0.00 0.00 31.60 31.41 1whb h MET 26 CO 0.08 0.35 0.30 -2.37 1.07 0.00 0.00 176.91 176.34 1whb n THR 27 N -4.47 2.96 -3.89 2.22 5.66 -0.86 -4.93 114.28 110.96 1whb n THR 27 Ca 0.03 -2.51 -0.35 0.00 -3.05 0.00 0.00 64.05 58.17 1whb n THR 27 Cb 0.07 -0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 68.18 1whb n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1whb s ASP 28 N -1.99 4.37 0.09 1.09 -1.08 -0.66 -4.98 116.67 113.51 1whb s ASP 28 Ca 0.53 -0.40 0.04 0.00 -0.52 0.00 0.00 52.55 52.20 1whb s ASP 28 Cb 0.45 -1.75 -0.23 0.00 -1.46 0.00 0.00 42.92 39.93 1whb s ASP 28 CO 0.05 -0.03 1.18 0.11 0.52 0.00 0.00 175.17 177.00 1whb h LYS 29 N 8.12 0.07 0.06 4.34 1.79 -1.92 -3.31 116.57 125.73 1whb h LYS 29 Ca -0.41 -0.13 -0.24 0.00 -2.18 0.00 0.00 60.65 57.70 1whb h LYS 29 Cb 1.16 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1whb h LYS 29 CO 0.60 1.02 -1.06 -0.91 -1.08 0.00 0.00 179.45 178.02 1whb h ASN 30 N 0.02 0.34 -3.62 0.86 4.21 -1.96 -3.42 115.58 112.01 1whb h ASN 30 Ca -0.07 -0.33 -0.68 0.00 1.21 0.00 0.00 56.30 56.43 1whb h ASN 30 Cb 1.85 -0.11 -0.27 0.00 -1.12 0.00 0.00 38.32 38.67 1whb h ASN 30 CO 0.14 1.19 -0.61 -0.63 -1.29 0.00 0.00 177.43 176.23 1whb s ILE 31 N -2.92 3.92 0.56 2.81 1.01 -1.24 -5.05 121.20 120.28 1whb s ILE 31 Ca -0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 1whb s ILE 31 Cb 0.09 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1whb s ILE 31 CO 0.86 -0.02 1.01 -0.44 0.00 0.00 0.00 174.94 176.34 1whb s SER 32 N 1.47 6.40 -0.29 3.58 0.01 -1.26 -4.50 113.70 119.11 1whb s SER 32 Ca 0.01 1.55 -0.18 0.00 1.31 0.00 0.00 55.95 58.63 1whb s SER 32 Cb -0.18 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.68 1whb s SER 32 CO 0.03 -0.74 0.94 -0.22 0.41 0.00 0.00 173.24 173.65 1whb s LEU 33 N -4.48 -0.57 0.01 2.44 2.96 -1.26 -2.52 118.68 115.26 1whb s LEU 33 Ca 0.58 0.95 0.08 0.00 -0.22 0.00 0.00 54.13 55.52 1whb s LEU 33 Cb -0.11 1.89 -0.03 0.00 0.50 0.00 0.00 46.19 48.45 1whb s LEU 33 CO 0.39 -0.15 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.39 1whb s ILE 34 N 1.09 2.25 -0.07 6.68 1.01 -1.23 -4.96 121.20 125.96 1whb s ILE 34 Ca -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1whb s ILE 34 Cb -0.04 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1whb s ILE 34 CO -0.13 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.48 1whb s ILE 35 N -0.74 2.87 0.03 2.92 1.01 -1.26 -1.25 121.20 124.79 1whb s ILE 35 Ca 0.11 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1whb s ILE 35 Cb -0.10 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1whb s ILE 35 CO 0.01 0.57 -0.17 -0.04 0.00 0.00 0.00 174.94 175.31 1whb s MET 36 N -0.30 1.15 -0.52 2.79 -1.94 -0.82 0.11 119.30 119.77 1whb s MET 36 Ca 0.02 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 1whb s MET 36 Cb -0.13 -1.18 0.13 0.00 2.01 0.00 0.00 34.83 35.66 1whb s MET 36 CO 0.03 0.30 0.34 0.16 -0.01 0.00 0.00 175.02 175.84 1whb s ASP 37 N -0.99 5.42 -1.31 3.03 1.47 -1.12 0.89 116.67 124.05 1whb s ASP 37 Ca 0.04 -2.32 -0.17 0.00 1.18 0.00 0.00 52.55 51.28 1whb s ASP 37 Cb -0.08 -1.89 0.03 0.00 -0.34 0.00 0.00 42.92 40.64 1whb s ASP 37 CO 0.01 -0.52 1.94 0.00 0.68 0.00 0.00 175.17 177.28 1whb n ALA 38 N 4.25 4.08 -4.27 2.11 0.00 -1.25 -3.24 120.51 122.19 1whb n ALA 38 Ca 0.01 -3.75 -0.23 0.00 0.00 0.00 0.00 53.44 49.46 1whb n ALA 38 Cb 0.40 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.20 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 7.49 0.43 -1.12 0.00 3.00 -1.21 -4.80 116.66 120.45 1whb n ARG 39 Ca 0.50 -3.36 -0.33 0.00 -0.01 0.00 0.00 57.85 54.64 1whb n ARG 39 Cb 0.43 2.77 0.13 0.00 0.00 0.00 0.00 32.46 35.79 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 -3.35 1.64 0.45 5.56 3.52 -1.26 -1.82 118.95 123.69 1whb s ARG 40 Ca 0.40 1.75 0.12 0.00 -0.13 0.00 0.00 55.73 57.87 1whb s ARG 40 Cb 0.02 -1.78 1.02 0.00 -1.56 0.00 0.00 34.95 32.65 1whb s ARG 40 CO 0.28 -2.21 2.05 1.98 -0.81 0.00 0.00 175.30 176.59 1whb h MET 41 N -0.91 0.17 -0.03 5.12 4.05 -1.95 -1.70 114.93 119.70 1whb h MET 41 Ca -0.46 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 58.80 1whb h MET 41 Cb 1.29 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 1whb h MET 41 CO 0.46 0.20 -0.62 0.37 0.23 0.00 0.00 176.91 177.55 1whb h GLN 42 N 0.17 0.10 -0.42 0.39 4.15 -2.01 -3.16 115.11 114.34 1whb h GLN 42 Ca 0.04 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1whb h GLN 42 Cb 0.13 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1whb h GLN 42 CO 0.00 0.69 0.20 -0.44 -1.93 0.00 0.00 178.83 177.35 1whb h ASP 43 N 0.08 0.55 -0.84 -0.69 3.32 -1.65 -1.86 116.42 115.33 1whb h ASP 43 Ca -0.01 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1whb h ASP 43 Cb 1.11 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.48 1whb h ASP 43 CO 0.09 0.53 0.55 0.22 -1.72 0.00 0.00 179.24 178.91 1whb h TYR 44 N 0.54 1.06 -0.21 4.55 3.20 -1.52 0.89 116.97 125.48 1whb h TYR 44 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1whb h TYR 44 Cb 0.12 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1whb h TYR 44 CO -0.01 0.67 0.02 1.96 -1.64 0.00 0.00 178.16 179.16 1whb h GLN 45 N 1.14 0.36 0.27 1.82 1.08 -1.45 -3.27 115.11 115.07 1whb h GLN 45 Ca 0.31 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1whb h GLN 45 Cb -0.12 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 1whb h GLN 45 CO -0.07 0.53 -0.13 -0.44 -0.95 0.00 0.00 178.83 177.77 1whb h ASP 46 N 0.14 -0.31 -4.33 1.46 5.19 -0.99 -3.45 116.42 114.13 1whb h ASP 46 Ca 0.06 -0.17 -0.40 0.00 -0.62 0.00 0.00 57.03 55.90 1whb h ASP 46 Cb 0.35 0.08 -0.25 0.00 0.18 0.00 0.00 39.33 39.69 1whb h ASP 46 CO 0.01 0.01 -0.78 -0.94 -3.12 0.00 0.00 179.24 174.42 1whb s SER 47 N -5.09 1.39 -0.29 6.45 1.04 0.28 -4.70 113.70 112.78 1whb s SER 47 Ca -0.15 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.71 1whb s SER 47 Cb 0.03 -0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.19 1whb s SER 47 CO 0.58 0.01 0.88 0.00 0.98 0.00 0.00 173.24 175.69 1whb s ILE 49 N 1.34 3.48 0.39 0.00 1.01 -1.26 -2.06 121.20 124.11 1whb s ILE 49 Ca -0.08 1.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 1whb s ILE 49 Cb -0.04 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1whb s ILE 49 CO -0.16 0.15 1.14 -0.76 0.00 0.00 0.00 174.94 175.31 1whb s LEU 50 N -2.21 4.20 -1.54 2.97 1.43 -1.22 -3.19 118.68 119.12 1whb s LEU 50 Ca 0.53 2.29 -0.05 0.00 -1.03 0.00 0.00 54.13 55.87 1whb s LEU 50 Cb -0.28 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 41.92 1whb s LEU 50 CO 0.35 -0.62 0.65 1.41 0.23 0.00 0.00 176.35 178.37 1whb n HIS 51 N 0.10 -2.04 -4.37 0.29 8.25 -1.26 -4.99 115.22 111.20 1whb n HIS 51 Ca 0.04 0.56 -0.19 0.00 -0.26 0.00 0.00 57.72 57.87 1whb n HIS 51 Cb 0.47 -4.50 -0.10 0.00 1.12 0.00 0.00 29.99 26.97 1whb n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1whb s SER 52 N -2.75 2.50 0.35 0.41 1.04 -1.19 -4.77 113.70 109.28 1whb s SER 52 Ca 0.33 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1whb s SER 52 Cb -0.15 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1whb s SER 52 CO 0.41 -0.29 0.51 -0.22 0.98 0.00 0.00 173.24 174.63 1whb s LEU 53 N -3.35 3.97 0.05 2.42 2.96 0.30 -4.97 118.68 120.05 1whb s LEU 53 Ca 0.26 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1whb s LEU 53 Cb 0.02 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 1whb s LEU 53 CO 0.09 -0.40 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.65 1whb s SER 54 N -4.12 1.44 -0.18 3.68 1.04 -1.26 -2.77 113.70 111.53 1whb s SER 54 Ca 0.43 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 1whb s SER 54 Cb -0.10 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1whb s SER 54 CO 0.33 -0.05 0.41 0.54 0.98 0.00 0.00 173.24 175.45 1whb s VAL 55 N -1.05 -0.26 1.02 5.02 0.11 -1.20 -4.71 120.40 119.33 1whb s VAL 55 Ca -0.02 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 1whb s VAL 55 Cb -0.09 -0.63 0.09 0.00 -1.53 0.00 0.00 36.38 34.22 1whb s VAL 55 CO 0.01 0.05 0.38 -2.65 -3.33 0.00 0.00 175.10 169.57 1whb n PRO 56 N 4.70 -0.90 -0.07 1.54 -0.02 -1.26 -3.36 135.00 135.64 1whb n PRO 56 Ca -0.18 -0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 60.95 1whb n PRO 56 Cb 0.53 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1whb n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1whb n GLU 57 N -2.28 0.67 0.08 -0.52 2.13 -0.76 -4.11 120.64 115.87 1whb n GLU 57 Ca 0.05 0.15 -0.08 0.00 0.66 0.00 0.00 57.16 57.94 1whb n GLU 57 Cb 0.56 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.64 1whb n GLU 57 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1whb h GLU 58 N 0.01 0.19 -0.06 5.31 4.39 -1.93 -3.16 114.58 119.34 1whb h GLU 58 Ca -0.45 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.00 1whb h GLU 58 Cb 2.09 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.79 1whb h GLU 58 CO 0.03 0.93 -0.18 0.00 -1.16 0.00 0.00 179.01 178.64 1whb h ALA 59 N 1.00 1.59 -2.06 3.43 0.00 -1.91 -3.39 119.26 117.92 1whb h ALA 59 Ca -0.04 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.04 1whb h ALA 59 Cb 1.47 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 1whb h ALA 59 CO 0.13 0.30 0.29 0.42 0.00 0.00 0.00 179.25 180.39 1whb s ILE 60 N -4.63 4.68 0.16 0.00 1.01 -1.19 -4.67 121.20 116.56 1whb s ILE 60 Ca -0.04 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1whb s ILE 60 Cb 0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1whb s ILE 60 CO 0.71 -0.75 0.11 -0.44 0.00 0.00 0.00 174.94 174.58 1whb s SER 61 N 2.24 5.40 -0.45 3.58 0.01 -1.26 -4.85 113.70 118.37 1whb s SER 61 Ca 0.27 -0.17 -0.28 0.00 1.31 0.00 0.00 55.95 57.09 1whb s SER 61 Cb -0.13 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1whb s SER 61 CO 0.20 0.08 1.81 -2.16 0.41 0.00 0.00 173.24 173.58 1whb s PRO 62 N -3.04 3.04 0.00 12.44 0.04 -1.26 -3.10 135.00 143.12 1whb s PRO 62 Ca 0.30 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1whb s PRO 62 Cb -0.10 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1whb s PRO 62 CO 0.23 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1whb n GLY 63 N 5.52 0.87 3.83 0.56 0.00 -1.26 -5.05 105.19 109.66 1whb n GLY 63 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.73 1.87 0.38 1.61 -7.23 -1.18 -5.13 120.40 108.99 1whb s VAL 64 Ca 0.00 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1whb s VAL 64 Cb 0.00 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1whb s VAL 64 CO 0.00 0.00 0.10 0.35 -0.31 0.00 0.00 175.10 175.24 1whb n THR 65 N -1.53 0.00 -0.13 5.32 -2.24 -1.26 -4.42 114.28 110.02 1whb n THR 65 Ca -0.03 -1.68 -0.06 0.00 -2.27 0.00 0.00 64.05 60.01 1whb n THR 65 Cb 0.64 0.17 0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.02 1.01 -0.20 6.98 0.00 -1.74 -2.58 119.26 123.74 1whb h ALA 66 Ca -0.29 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1whb h ALA 66 Cb 0.92 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1whb h ALA 66 CO 0.47 0.60 0.13 0.77 0.00 0.00 0.00 179.25 181.22 1whb h SER 67 N 0.79 0.24 0.57 0.00 0.02 -1.94 0.41 113.55 113.64 1whb h SER 67 Ca 0.15 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1whb h SER 67 Cb 0.51 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1whb h SER 67 CO 0.03 0.18 -0.27 -0.25 -1.14 0.00 0.00 176.83 175.37 1whb h TRP 68 N 0.28 -0.71 -0.19 3.45 2.91 -1.86 -2.37 115.95 117.46 1whb h TRP 68 Ca 0.07 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1whb h TRP 68 Cb -0.02 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 1whb h TRP 68 CO 0.00 -0.39 0.11 0.82 -1.03 0.00 0.00 178.44 177.96 1whb h ILE 69 N -1.09 1.08 -0.48 2.65 2.04 -1.44 -2.08 117.51 118.18 1whb h ILE 69 Ca -0.08 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 65.74 1whb h ILE 69 Cb 0.64 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1whb h ILE 69 CO 0.13 0.07 0.39 -0.08 0.00 0.00 0.00 178.15 178.66 1whb h GLU 70 N 0.23 0.00 0.00 2.37 4.81 -0.99 0.20 114.58 121.20 1whb h GLU 70 Ca 0.07 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 1whb h GLU 70 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1whb h GLU 70 CO -0.01 0.00 -0.67 0.00 -0.73 0.00 0.00 179.01 177.60 1whb h ALA 71 N 1.68 0.85 -3.29 2.92 0.00 -0.82 -3.38 119.26 117.22 1whb h ALA 71 Ca 0.23 -0.61 -0.63 0.00 0.00 0.00 0.00 54.91 53.89 1whb h ALA 71 Cb 1.00 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.27 1whb h ALA 71 CO -0.00 0.84 -0.63 -1.01 0.00 0.00 0.00 179.25 178.44 1whb s HIS 72 N -3.42 3.13 0.02 0.00 3.76 0.71 -5.06 115.29 114.42 1whb s HIS 72 Ca -0.01 -3.14 -0.24 0.00 -0.15 0.00 0.00 55.06 51.53 1whb s HIS 72 Cb 0.12 -2.71 0.05 0.00 1.11 0.00 0.00 32.58 31.15 1whb s HIS 72 CO 0.77 -0.71 0.55 -0.51 -0.85 0.00 0.00 174.74 173.98 1whb s LEU 73 N -0.42 -0.17 1.10 0.89 1.43 -1.24 -4.69 118.68 115.58 1whb s LEU 73 Ca 0.18 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1whb s LEU 73 Cb -0.22 2.17 0.14 0.00 0.03 0.00 0.00 46.19 48.31 1whb s LEU 73 CO -0.03 -0.67 0.14 -2.65 0.23 0.00 0.00 176.35 173.37 1whb n PRO 74 N 0.63 -2.06 0.11 1.29 -0.02 -1.26 -4.78 135.00 128.90 1whb n PRO 74 Ca -0.19 -0.60 -0.19 0.00 -2.02 0.00 0.00 63.50 60.50 1whb n PRO 74 Cb 0.59 -1.61 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1whb n PRO 74 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1whb h ASP 75 N -2.39 0.56 0.80 2.55 3.58 -2.00 -2.95 116.42 116.57 1whb h ASP 75 Ca -0.42 -0.64 -0.24 0.00 0.42 0.00 0.00 57.03 56.16 1whb h ASP 75 Cb 1.14 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.97 1whb h ASP 75 CO 0.28 1.51 -1.28 0.44 -2.88 0.00 0.00 179.24 177.31 1whb h ASP 76 N 0.10 0.00 0.90 2.28 3.32 -2.01 -3.31 116.42 117.70 1whb h ASP 76 Ca -0.21 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 1whb h ASP 76 Cb 2.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.59 1whb h ASP 76 CO 0.22 0.97 -0.50 -1.28 -1.72 0.00 0.00 179.24 176.92 1whb h SER 77 N 0.00 0.00 -0.33 6.45 0.87 -1.91 -3.10 113.55 115.53 1whb h SER 77 Ca -0.13 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1whb h SER 77 Cb 1.85 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.79 1whb h SER 77 CO 0.10 0.50 0.25 0.11 -0.53 0.00 0.00 176.83 177.27 1whb h LYS 78 N 0.00 0.00 0.40 2.24 1.57 -1.60 -0.45 116.57 118.73 1whb h LYS 78 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1whb h LYS 78 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1whb h LYS 78 CO 0.07 0.00 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.32 1whb h ASP 79 N 0.00 -0.45 -0.14 0.86 5.19 -1.73 -3.13 116.42 117.02 1whb h ASP 79 Ca 0.16 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1whb h ASP 79 Cb 0.65 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1whb h ASP 79 CO -0.00 -0.19 0.12 0.74 -3.12 0.00 0.00 179.24 176.78 1whb h THR 80 N -0.79 0.73 -0.62 0.35 2.02 -1.66 -1.98 112.91 110.96 1whb h THR 80 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1whb h THR 80 Cb 0.41 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1whb h THR 80 CO 0.09 0.00 0.35 -0.25 0.37 0.00 0.00 175.52 176.08 1whb h TRP 81 N 0.00 0.64 0.00 3.16 2.91 -1.08 -1.13 115.95 120.45 1whb h TRP 81 Ca 0.07 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 1whb h TRP 81 Cb 0.30 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 1whb h TRP 81 CO 0.00 0.32 -0.27 0.87 -1.03 0.00 0.00 178.44 178.33 1whb h LYS 82 N 0.66 0.00 0.00 2.65 1.57 -1.31 -2.62 116.57 117.52 1whb h LYS 82 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1whb h LYS 82 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1whb h LYS 82 CO -0.16 0.27 0.00 1.63 -0.57 0.00 0.00 179.45 180.62 1whb n LYS 83 N -3.49 0.25 -0.25 3.15 4.76 -0.45 -3.50 118.16 118.63 1whb n LYS 83 Ca -0.00 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.64 1whb n LYS 83 Cb 0.44 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 32.52 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 0.65 0.00 1.97 -0.00 -1.23 0.63 114.38 116.40 1whb h ARG 84 Ca 0.00 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.98 59.88 1whb h ARG 84 Cb 0.26 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.07 1whb h ARG 84 CO 0.00 0.43 -0.28 0.78 -0.00 0.00 0.00 179.97 180.89 1whb h GLY 85 N 0.67 0.00 1.42 0.08 0.00 -1.81 -3.28 103.07 100.15 1whb h GLY 85 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.48 1whb h GLY 85 CO -0.19 0.00 -1.19 -0.57 0.00 0.00 0.00 176.54 174.59 1whb h ASN 86 N 0.00 0.67 -3.68 0.19 -1.24 -1.14 -3.46 115.58 106.91 1whb h ASN 86 Ca -0.00 -0.63 -0.43 0.00 0.71 0.00 0.00 56.30 55.95 1whb h ASN 86 Cb 1.20 -0.21 0.18 0.00 0.73 0.00 0.00 38.32 40.22 1whb h ASN 86 CO 0.04 1.46 0.16 0.68 -1.29 0.00 0.00 177.43 178.48 1whb s VAL 87 N -2.94 1.79 0.00 2.57 -7.23 -0.34 -5.02 120.40 109.23 1whb s VAL 87 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 1whb s VAL 87 Cb 0.07 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1whb s VAL 87 CO 0.91 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 175.08 1whb n GLU 88 N -4.49 0.00 -2.20 4.82 4.71 -1.24 -4.80 120.64 117.44 1whb n GLU 88 Ca 0.09 0.01 -0.26 0.00 -0.01 0.00 0.00 57.16 56.99 1whb n GLU 88 Cb 0.59 -0.12 0.07 0.00 -1.01 0.00 0.00 31.44 30.97 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 -0.10 2.94 0.03 -0.32 1.51 -1.05 -4.12 117.35 116.24 1whb s TYR 89 Ca 0.00 0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 56.43 1whb s TYR 89 Cb 0.00 -3.18 0.01 0.00 -0.11 0.00 0.00 41.96 38.68 1whb s TYR 89 CO 0.00 -1.38 0.21 0.08 -1.11 0.00 0.00 175.55 173.34 1whb s VAL 90 N -3.24 0.10 0.09 0.71 1.01 -1.26 -3.54 120.40 114.25 1whb s VAL 90 Ca 0.60 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1whb s VAL 90 Cb -0.11 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1whb s VAL 90 CO 0.45 -0.44 0.28 -0.69 0.00 0.00 0.00 175.10 174.70 1whb s VAL 91 N -2.21 0.11 0.46 2.92 1.01 -0.38 -3.16 120.40 119.15 1whb s VAL 91 Ca -0.08 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1whb s VAL 91 Cb -0.03 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1whb s VAL 91 CO -0.02 -0.49 0.10 -0.76 0.00 0.00 0.00 175.10 173.93 1whb s LEU 92 N -2.64 2.06 0.36 3.92 1.43 -0.54 -1.95 118.68 121.32 1whb s LEU 92 Ca 0.02 -1.73 0.04 0.00 -1.03 0.00 0.00 54.13 51.43 1whb s LEU 92 Cb 0.03 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 1whb s LEU 92 CO -0.09 -0.97 0.17 -0.76 0.23 0.00 0.00 176.35 174.93 1whb s LEU 93 N -3.73 1.84 -0.05 1.79 1.43 0.26 -2.73 118.68 117.50 1whb s LEU 93 Ca 0.14 -1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 51.29 1whb s LEU 93 Cb 0.01 0.13 0.12 0.00 0.03 0.00 0.00 46.19 46.47 1whb s LEU 93 CO 0.10 -0.94 1.34 1.51 0.23 0.00 0.00 176.35 178.58 1whb s ASP 94 N -3.48 -0.01 -0.27 2.29 -4.77 -1.26 -3.86 116.67 105.31 1whb s ASP 94 Ca 0.31 -0.11 -0.10 0.00 -3.30 0.00 0.00 52.55 49.35 1whb s ASP 94 Cb 0.03 0.10 -0.14 0.00 -1.09 0.00 0.00 42.92 41.82 1whb s ASP 94 CO 0.18 -0.19 -0.28 0.79 0.70 0.00 0.00 175.17 176.38 1whb n TRP 95 N -0.71 0.08 -2.84 2.11 7.02 -1.26 0.99 117.44 122.83 1whb n TRP 95 Ca -0.02 0.03 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1whb n TRP 95 Cb 0.61 -1.01 0.06 0.00 -2.42 0.00 0.00 31.31 28.55 1whb n TRP 95 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1whb n PHE 96 N -3.96 -1.90 -3.28 -5.99 3.72 -1.26 -4.41 117.46 100.38 1whb n PHE 96 Ca -0.51 -2.58 -0.06 0.00 -0.05 0.00 0.00 57.45 54.26 1whb n PHE 96 Cb 0.91 1.03 -0.05 0.00 -0.94 0.00 0.00 39.48 40.43 1whb n PHE 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1whb s SER 97 N -1.63 -0.16 0.61 4.37 0.15 -1.26 -5.07 113.70 110.70 1whb s SER 97 Ca 0.27 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.99 1whb s SER 97 Cb 0.32 1.37 0.09 0.00 -1.71 0.00 0.00 66.02 66.09 1whb s SER 97 CO -0.06 -0.32 0.85 -0.44 1.20 0.00 0.00 173.24 174.47 1whb s SER 98 N 2.62 4.88 0.58 5.45 0.01 -1.26 -4.82 113.70 121.16 1whb s SER 98 Ca 0.12 -0.45 0.28 0.00 1.31 0.00 0.00 55.95 57.21 1whb s SER 98 Cb -0.13 -0.15 1.70 0.00 0.21 0.00 0.00 66.02 67.64 1whb s SER 98 CO -0.24 -1.46 2.17 0.00 0.41 0.00 0.00 173.24 174.12 1whb h ALA 99 N -0.08 1.71 0.00 1.44 0.00 -1.86 -0.00 119.26 120.46 1whb h ALA 99 Ca -0.36 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 99 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1whb h ALA 99 CO 0.43 -0.14 -0.85 0.87 0.00 0.00 0.00 179.25 179.55 1whb h LYS 100 N 0.00 0.00 -0.69 0.00 6.56 -1.93 -3.24 116.57 117.27 1whb h LYS 100 Ca 0.04 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1whb h LYS 100 Cb 0.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.89 1whb h LYS 100 CO -0.00 0.61 0.01 -0.25 -2.06 0.00 0.00 179.45 177.76 1whb n ASP 101 N -3.20 4.59 -4.79 0.86 9.92 -0.04 -4.94 116.55 118.94 1whb n ASP 101 Ca -0.01 -2.72 -0.38 0.00 -0.53 0.00 0.00 54.79 51.14 1whb n ASP 101 Cb 0.83 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 40.60 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 -2.10 4.51 0.24 0.64 1.43 -1.03 -4.72 118.68 117.65 1whb s LEU 102 Ca 0.41 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1whb s LEU 102 Cb 0.32 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 1whb s LEU 102 CO 0.12 0.17 0.20 -1.10 0.23 0.00 0.00 176.35 175.96 1whb s GLN 103 N -1.39 1.38 -1.04 1.70 -0.21 -1.26 -5.07 119.66 113.77 1whb s GLN 103 Ca 0.37 -1.71 -0.23 0.00 0.02 0.00 0.00 55.36 53.81 1whb s GLN 103 Cb -0.21 0.30 -0.03 0.00 1.00 0.00 0.00 33.01 34.07 1whb s GLN 103 CO 0.24 -0.48 1.84 0.96 -2.12 0.00 0.00 175.29 175.73 1whb s ILE 104 N -3.94 3.62 0.00 1.08 -4.36 -1.26 -2.57 121.20 113.78 1whb s ILE 104 Ca 0.38 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 1whb s ILE 104 Cb 0.05 -4.46 0.00 0.00 1.25 0.00 0.00 42.46 39.30 1whb s ILE 104 CO 0.16 -1.23 0.00 0.61 0.24 0.00 0.00 174.94 174.72 1whb n GLY 105 N 6.41 0.67 3.75 6.27 0.00 -1.26 -5.09 105.19 115.94 1whb n GLY 105 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.34 0.23 2.61 -4.23 -1.06 -4.70 115.64 110.82 1whb s THR 106 Ca 0.00 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1whb s THR 106 Cb 0.00 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.94 1whb s THR 106 CO 0.00 -0.03 1.89 0.74 -0.54 0.00 0.00 174.62 176.68 1whb h THR 107 N 0.99 1.18 -0.44 3.99 2.02 -1.91 -0.50 112.91 118.24 1whb h THR 107 Ca -0.51 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1whb h THR 107 Cb 1.31 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1whb h THR 107 CO 0.55 0.20 0.21 -0.07 0.37 0.00 0.00 175.52 176.79 1whb h LEU 108 N 1.11 0.58 0.35 2.58 3.38 -1.91 0.12 115.31 121.52 1whb h LEU 108 Ca 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1whb h LEU 108 Cb -0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1whb h LEU 108 CO -0.09 0.54 -0.17 0.03 0.09 0.00 0.00 178.44 178.85 1whb h ARG 109 N 0.57 -0.46 -0.26 1.13 2.47 -1.73 0.82 114.38 116.92 1whb h ARG 109 Ca 0.15 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1whb h ARG 109 Cb 0.12 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1whb h ARG 109 CO -0.02 -0.20 0.17 0.66 0.56 0.00 0.00 179.97 181.13 1whb h SER 110 N -0.64 0.30 0.86 7.04 4.64 -1.06 0.06 113.55 124.73 1whb h SER 110 Ca -0.05 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.03 1whb h SER 110 Cb 0.46 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1whb h SER 110 CO 0.08 0.22 -1.16 0.25 -0.87 0.00 0.00 176.83 175.35 1whb h LEU 111 N 0.35 0.06 -0.58 5.97 5.85 -0.54 -1.67 115.31 124.76 1whb h LEU 111 Ca 0.09 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1whb h LEU 111 Cb -0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1whb h LEU 111 CO -0.02 1.06 -0.66 0.50 -0.34 0.00 0.00 178.44 178.98 1whb h LYS 112 N 0.01 0.00 0.00 1.25 3.64 0.15 -3.17 116.57 118.45 1whb h LYS 112 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1whb h LYS 112 Cb 1.84 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1whb h LYS 112 CO 0.13 0.66 -1.37 -0.40 -2.27 0.00 0.00 179.45 176.20 1whb n ASP 113 N -3.63 0.55 -0.77 4.20 5.68 -0.07 -3.99 116.55 118.52 1whb n ASP 113 Ca -0.01 0.22 0.05 0.00 -0.50 0.00 0.00 54.79 54.55 1whb n ASP 113 Cb 0.68 0.97 0.16 0.00 -1.14 0.00 0.00 41.12 41.79 1whb n ASP 113 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1whb n ALA 114 N -2.22 2.62 -0.01 2.12 0.00 -0.63 -0.75 120.51 121.64 1whb n ALA 114 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1whb n ALA 114 Cb 0.58 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 0.46 0.00 0.04 0.00 4.77 -1.20 -3.75 117.00 117.32 1whb n LEU 115 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1whb n LEU 115 Cb 0.39 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1whb n LEU 115 CO 0.10 0.05 -0.14 0.33 -1.33 0.00 0.00 177.39 176.39 1whb n PHE 116 N -1.88 -0.51 -0.29 -1.77 -0.00 -1.25 -4.71 117.46 107.05 1whb n PHE 116 Ca -0.04 0.09 -0.01 0.00 -0.00 0.00 0.00 57.45 57.50 1whb n PHE 116 Cb 0.35 0.30 0.12 0.00 -0.00 0.00 0.00 39.48 40.25 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 0.89 -1.82 -4.13 3.11 -1.69 -2.57 116.57 110.37 1whb h LYS 117 Ca 0.00 -0.05 -0.73 0.00 -2.81 0.00 0.00 60.65 57.06 1whb h LYS 117 Cb 0.29 -0.20 -0.30 0.00 -1.00 0.00 0.00 32.23 31.02 1whb h LYS 117 CO 0.00 0.59 0.75 0.91 -2.81 0.00 0.00 179.45 178.89 1whb n TRP 118 N -4.64 3.07 -3.81 1.91 7.02 0.07 -5.00 117.44 116.06 1whb n TRP 118 Ca 0.11 -2.50 -0.30 0.00 -1.02 0.00 0.00 57.50 53.78 1whb n TRP 118 Cb 0.15 -1.03 -0.04 0.00 -2.42 0.00 0.00 31.31 27.97 1whb n TRP 118 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1whb s GLU 119 N -3.97 3.51 0.00 -0.99 0.41 -0.97 -4.24 118.70 112.45 1whb s GLU 119 Ca 0.53 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 1whb s GLU 119 Cb 0.44 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 1whb s GLU 119 CO -0.34 0.51 0.00 0.45 -0.49 0.00 0.00 175.26 175.39 1whb n SER 120 N -0.08 0.19 0.00 -0.19 2.88 -1.26 -5.03 113.62 110.12 1whb n SER 120 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1whb n SER 120 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.51 0.00 -2.05 -1.46 4.76 -1.26 -5.02 118.16 110.62 1whb n LYS 121 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1whb n LYS 121 Cb 0.15 -0.14 0.01 0.00 -1.84 0.00 0.00 35.03 33.21 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1whb s THR 122 N -0.40 2.64 -0.09 -0.18 2.01 -1.26 -5.04 115.64 113.32 1whb s THR 122 Ca 0.00 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 1whb s THR 122 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1whb s THR 122 CO 0.00 0.02 0.23 -0.69 -0.69 0.00 0.00 174.62 173.48 1whb s VAL 123 N -1.39 -0.01 0.69 3.82 1.01 -1.26 -4.88 120.40 118.39 1whb s VAL 123 Ca 0.64 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.66 1whb s VAL 123 Cb -0.35 -0.33 0.12 0.00 0.00 0.00 0.00 36.38 35.83 1whb s VAL 123 CO 0.43 0.01 0.95 -0.76 0.00 0.00 0.00 175.10 175.73 1whb s LEU 124 N 0.26 2.99 -0.07 3.92 1.43 -1.26 -4.86 118.68 121.10 1whb s LEU 124 Ca -0.01 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1whb s LEU 124 Cb -0.03 -1.82 -0.24 0.00 0.03 0.00 0.00 46.19 44.12 1whb s LEU 124 CO -0.01 -1.77 0.57 0.08 0.23 0.00 0.00 176.35 175.45 1whb h ARG 125 N -0.38 0.11 0.00 1.70 0.11 -1.87 -3.49 114.38 110.56 1whb h ARG 125 Ca -0.34 -0.20 -0.23 0.00 0.10 0.00 0.00 59.98 59.32 1whb h ARG 125 Cb 1.27 0.07 -0.05 0.00 1.11 0.00 0.00 29.97 32.37 1whb h ARG 125 CO 0.39 0.80 -0.19 0.09 0.10 0.00 0.00 179.97 181.17 1whb n ASN 126 N -3.23 1.16 -4.82 0.08 3.02 -1.26 -5.13 115.26 105.07 1whb n ASN 126 Ca -0.22 -1.88 -0.37 0.00 -0.03 0.00 0.00 54.58 52.08 1whb n ASN 126 Cb 1.05 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 40.55 1whb n ASN 126 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1whb s GLU 127 N -2.63 3.80 0.15 3.52 2.02 -1.26 -4.98 118.70 119.32 1whb s GLU 127 Ca 0.08 0.03 -0.34 0.00 0.02 0.00 0.00 54.97 54.76 1whb s GLU 127 Cb 0.00 -3.27 -0.15 0.00 0.10 0.00 0.00 34.13 30.82 1whb s GLU 127 CO 0.05 0.60 1.49 -2.30 0.02 0.00 0.00 175.26 175.13 1whb n PRO 128 N 2.43 1.88 -4.25 0.39 -0.02 -1.26 -4.84 135.00 129.31 1whb n PRO 128 Ca -0.17 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 1whb n PRO 128 Cb 0.53 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.72 3.06 -0.16 2.45 1.43 -1.19 -4.96 118.68 120.04 1whb s LEU 129 Ca 0.79 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1whb s LEU 129 Cb -0.75 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1whb s LEU 129 CO 0.41 0.12 0.06 0.54 0.23 0.00 0.00 176.35 177.72 1whb s VAL 130 N -1.58 4.80 0.71 -1.59 0.11 -1.26 -1.46 120.40 120.13 1whb s VAL 130 Ca 0.24 -0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 59.09 1whb s VAL 130 Cb -0.09 -3.13 0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1whb s VAL 130 CO 0.15 0.50 1.26 -0.22 -3.33 0.00 0.00 175.10 173.46 1whb s LEU 131 N 0.02 3.41 -0.58 2.54 2.96 -1.10 -2.04 118.68 123.89 1whb s LEU 131 Ca 0.06 2.52 -0.27 0.00 -0.22 0.00 0.00 54.13 56.22 1whb s LEU 131 Cb -0.12 -4.61 -0.01 0.00 0.50 0.00 0.00 46.19 41.95 1whb s LEU 131 CO 0.01 -2.25 1.69 -1.61 -1.32 0.00 0.00 176.35 172.87 1whb s GLU 132 N -3.67 2.93 0.00 1.98 0.41 0.41 -3.36 118.70 117.40 1whb s GLU 132 Ca 0.79 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 1whb s GLU 132 Cb -0.34 -4.28 0.00 0.00 -1.78 0.00 0.00 34.13 27.73 1whb s GLU 132 CO 0.44 -2.38 0.00 0.41 -0.49 0.00 0.00 175.26 173.24 1whb n GLY 133 N 5.53 2.64 0.90 -1.39 0.00 -1.26 -4.69 105.19 106.92 1whb n GLY 133 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.63 0.19 -0.02 0.00 -1.21 -4.26 105.19 100.51 1whb n GLY 134 Ca 0.00 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.48 -0.81 1.61 5.03 0.32 -0.90 116.97 122.70 1whb h TYR 135 Ca 0.00 -0.18 0.02 0.00 2.58 0.00 0.00 58.73 61.16 1whb h TYR 135 Cb 0.00 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.15 1whb h TYR 135 CO 0.00 0.87 0.54 1.49 -1.32 0.00 0.00 178.16 179.73 1whb h GLU 136 N 0.29 1.02 0.00 1.82 4.57 -1.74 -2.23 114.58 118.29 1whb h GLU 136 Ca -0.00 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.86 1whb h GLU 136 Cb 1.10 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 1whb h GLU 136 CO 0.10 0.67 -1.43 -0.97 -1.18 0.00 0.00 179.01 176.20 1whb h ASN 137 N 1.05 0.00 -0.50 1.04 -0.73 -1.73 -3.33 115.58 111.37 1whb h ASN 137 Ca 0.31 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.50 1whb h ASN 137 Cb -0.04 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 1whb h ASN 137 CO -0.08 0.99 0.33 -0.25 -0.37 0.00 0.00 177.43 178.06 1whb h TRP 138 N 0.00 0.58 -0.42 0.67 2.91 -0.64 -0.32 115.95 118.73 1whb h TRP 138 Ca -0.18 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 59.73 1whb h TRP 138 Cb 1.91 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 30.35 1whb h TRP 138 CO 0.00 0.35 -0.23 -0.07 -1.03 0.00 0.00 178.44 177.46 1whb h LEU 139 N 0.61 0.86 -0.55 0.65 3.38 -1.53 0.57 115.31 119.31 1whb h LEU 139 Ca 0.20 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1whb h LEU 139 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1whb h LEU 139 CO -0.05 1.06 -0.71 -0.07 0.09 0.00 0.00 178.44 178.76 1whb h LEU 140 N 0.73 0.11 0.09 1.67 3.38 -1.46 -1.47 115.31 118.37 1whb h LEU 140 Ca 0.10 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1whb h LEU 140 Cb 0.77 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1whb h LEU 140 CO 0.06 0.79 -0.89 0.00 0.09 0.00 0.00 178.44 178.48 1whb n TYR 142 N -4.18 -1.84 0.48 0.00 4.01 0.20 -4.97 117.16 110.85 1whb n TYR 142 Ca -0.18 -2.70 0.10 0.00 -0.16 0.00 0.00 57.90 54.95 1whb n TYR 142 Cb 0.77 0.64 0.41 0.00 -0.31 0.00 0.00 39.34 40.86 1whb n TYR 142 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1whb n PRO 143 N 2.86 0.11 -1.05 -0.72 -0.04 -0.55 -2.80 135.00 132.81 1whb n PRO 143 Ca 0.26 0.32 -0.20 0.00 -0.04 0.00 0.00 63.50 63.84 1whb n PRO 143 Cb 0.50 -1.69 0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1whb n PRO 143 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1whb n GLN 144 N -1.89 2.08 -1.47 0.54 -0.00 -1.26 -4.13 117.38 111.25 1whb n GLN 144 Ca 0.03 -2.57 0.03 0.00 -0.00 0.00 0.00 57.00 54.49 1whb n GLN 144 Cb 0.22 -2.01 0.06 0.00 -0.00 0.00 0.00 30.24 28.51 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1whb n TYR 145 N -0.90 0.19 -3.92 2.61 4.19 -1.12 -5.08 117.16 113.13 1whb n TYR 145 Ca 0.51 -0.88 -0.10 0.00 3.31 0.00 0.00 57.90 60.74 1whb n TYR 145 Cb 1.51 -0.18 -0.09 0.00 0.49 0.00 0.00 39.34 41.06 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 -1.07 0.13 0.24 2.97 -4.23 -1.26 -3.41 115.64 109.01 1whb s THR 146 Ca 0.35 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1whb s THR 146 Cb 0.38 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 73.39 1whb s THR 146 CO -0.13 -0.57 1.59 0.71 -0.54 0.00 0.00 174.62 175.68 1whb h THR 147 N 3.77 1.33 -3.47 3.99 1.35 -1.74 -3.41 112.91 114.73 1whb h THR 147 Ca -0.32 -1.73 -0.57 0.00 -0.55 0.00 0.00 66.41 63.24 1whb h THR 147 Cb 1.19 1.77 -0.39 0.00 -1.73 0.00 0.00 68.15 68.99 1whb h THR 147 CO 0.49 0.53 -0.78 0.21 -0.25 0.00 0.00 175.52 175.71 1whb s ASN 148 N -6.89 3.39 -0.14 5.36 2.47 -1.26 -4.98 114.94 112.89 1whb s ASN 148 Ca -0.05 -0.99 0.15 0.00 0.42 0.00 0.00 52.86 52.39 1whb s ASN 148 Cb 0.12 -0.93 -0.24 0.00 -1.45 0.00 0.00 41.25 38.76 1whb s ASN 148 CO 0.80 -0.26 0.28 0.00 -3.72 0.00 0.00 177.10 174.21 1whb n ALA 149 N 4.84 1.49 -1.16 1.71 0.00 -1.26 -4.58 120.51 121.55 1whb n ALA 149 Ca -0.11 -1.11 -0.34 0.00 0.00 0.00 0.00 53.44 51.87 1whb n ALA 149 Cb 0.46 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 1whb n ALA 149 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1whb n LYS 150 N -2.88 2.60 -3.88 0.00 2.85 -1.26 -4.81 118.16 110.77 1whb n LYS 150 Ca -0.27 -1.95 -0.27 0.00 -1.05 0.00 0.00 58.31 54.76 1whb n LYS 150 Cb 1.11 -2.79 -0.17 0.00 -0.65 0.00 0.00 35.03 32.54 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1whb s VAL 151 N 3.29 0.99 -0.16 0.58 -7.23 -1.26 -5.11 120.40 111.49 1whb s VAL 151 Ca 0.53 -0.39 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1whb s VAL 151 Cb 0.14 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1whb s VAL 151 CO -0.02 0.25 0.04 -0.55 -0.31 0.00 0.00 175.10 174.50 1whb s SER 152 N 1.71 5.46 -0.53 4.85 0.15 -1.26 -5.04 113.70 119.03 1whb s SER 152 Ca 0.03 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.81 1whb s SER 152 Cb -0.14 -1.88 0.27 0.00 -1.71 0.00 0.00 66.02 62.56 1whb s SER 152 CO -0.08 0.20 0.70 0.61 1.20 0.00 0.00 173.24 175.87 1whb n GLY 153 N 3.33 4.20 3.06 9.45 0.00 -1.26 -5.11 105.19 118.86 1whb n GLY 153 Ca -0.17 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.34 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 0.85 -2.89 -2.31 1.61 -0.02 -1.26 -5.01 135.00 125.97 1whb n PRO 154 Ca 0.27 -0.86 -0.26 0.00 -2.02 0.00 0.00 63.50 60.63 1whb n PRO 154 Cb 0.47 -1.58 0.15 0.00 -0.02 0.00 0.00 33.50 32.51 1whb n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1whb s SER 155 N -2.24 3.76 0.31 2.55 0.15 -1.26 -4.99 113.70 111.98 1whb s SER 155 Ca 0.43 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 57.04 1whb s SER 155 Cb -0.08 -0.09 0.51 0.00 -1.71 0.00 0.00 66.02 64.65 1whb s SER 155 CO 0.38 -2.28 1.72 -1.28 1.20 0.00 0.00 173.24 172.98 1whb h SER 156 N -1.04 0.18 0.00 5.45 0.87 -2.07 -3.57 113.55 113.37 1whb h SER 156 Ca -0.39 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1whb h SER 156 Cb 1.25 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1whb h SER 156 CO 0.38 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.87