#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 -0.42 -0.02 1.61 0.01 -1.26 -5.06 113.70 108.56 1whb s SER 2 Ca 0.00 0.76 -0.02 0.00 1.31 0.00 0.00 55.95 58.00 1whb s SER 2 Cb 0.00 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.90 1whb s SER 2 CO 0.00 -0.17 0.05 -1.54 0.41 0.00 0.00 173.24 171.98 1whb n SER 3 N 4.00 -7.70 0.00 2.44 3.41 -1.26 -5.06 113.62 109.45 1whb n SER 3 Ca -0.22 1.77 0.00 0.00 -0.26 0.00 0.00 58.87 60.16 1whb n SER 3 Cb 0.55 -5.13 0.00 0.00 -0.26 0.00 0.00 64.21 59.37 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 1.85 -0.63 1.88 5.00 0.00 -1.26 -4.97 105.19 107.05 1whb n GLY 4 Ca -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 1whb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whb n SER 5 N 0.00 4.55 0.00 1.61 3.41 -1.26 -4.97 113.62 116.96 1whb n SER 5 Ca 0.00 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 1whb n SER 5 Cb 0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1whb n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whb n SER 6 N -0.31 0.00 0.00 4.04 7.64 -1.26 -4.61 113.62 119.12 1whb n SER 6 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1whb n SER 6 Cb 1.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 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 0.00 5.59 3.09 0.23 0.00 -1.26 -4.98 105.19 107.86 1whb n GLY 7 Ca 0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1whb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whb s LYS 8 N 4.27 1.78 0.46 1.61 2.20 -1.26 -5.14 119.74 123.66 1whb s LYS 8 Ca 0.00 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1whb s LYS 8 Cb 0.00 -1.50 -0.02 0.00 -1.51 0.00 0.00 37.83 34.81 1whb s LYS 8 CO 0.00 0.14 0.06 0.00 -0.36 0.00 0.00 175.35 175.20 1whb s GLU 10 N -3.79 1.60 0.35 0.00 2.02 -1.26 -5.02 118.70 112.59 1whb s GLU 10 Ca 0.15 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.70 1whb s GLU 10 Cb 0.02 -1.39 0.64 0.00 0.10 0.00 0.00 34.13 33.50 1whb s GLU 10 CO 0.09 0.17 1.85 1.15 0.02 0.00 0.00 175.26 178.54 1whb h THR 11 N 5.43 1.21 -2.05 3.63 2.02 -2.06 -3.42 112.91 117.66 1whb h THR 11 Ca -0.32 -0.92 -0.58 0.00 0.77 0.00 0.00 66.41 65.36 1whb h THR 11 Cb 1.18 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1whb h THR 11 CO 0.48 0.29 1.46 -0.75 0.37 0.00 0.00 175.52 177.37 1whb s LYS 12 N -4.73 3.27 -0.37 6.66 2.47 -1.26 -4.83 119.74 120.94 1whb s LYS 12 Ca -0.06 2.10 0.06 0.00 -1.56 0.00 0.00 55.97 56.50 1whb s LYS 12 Cb 0.15 -4.34 0.65 0.00 -1.46 0.00 0.00 37.83 32.82 1whb s LYS 12 CO 0.76 -1.95 1.81 -1.91 0.16 0.00 0.00 175.35 174.21 1whb n GLU 13 N 8.59 2.66 -2.49 4.03 4.07 -1.26 -4.88 120.64 131.37 1whb n GLU 13 Ca 0.28 -2.80 -0.18 0.00 -0.06 0.00 0.00 57.16 54.40 1whb n GLU 13 Cb 0.44 -2.11 -0.01 0.00 -0.06 0.00 0.00 31.44 29.71 1whb n GLU 13 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1whb n LYS 14 N -0.69 -2.15 0.00 5.31 4.76 -1.26 -4.35 118.16 119.78 1whb n LYS 14 Ca 0.49 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.77 1whb n LYS 14 Cb 1.49 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.19 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whb n GLY 15 N -0.98 0.35 3.60 0.72 0.00 -1.26 -5.13 105.19 102.48 1whb n GLY 15 Ca -0.20 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.17 0.09 4.61 0.00 -1.26 -4.63 121.76 118.41 1whb s ALA 16 Ca 0.00 2.29 0.08 0.00 0.00 0.00 0.00 51.96 54.33 1whb s ALA 16 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1whb s ALA 16 CO 0.00 -0.84 -0.17 -1.50 0.00 0.00 0.00 175.76 173.26 1whb s ILE 17 N 2.57 2.93 0.63 0.00 2.07 -1.22 -4.90 121.20 123.28 1whb s ILE 17 Ca -0.06 -1.37 0.01 0.00 -1.41 0.00 0.00 60.65 57.82 1whb s ILE 17 Cb -0.09 -2.32 0.08 0.00 0.13 0.00 0.00 42.46 40.26 1whb s ILE 17 CO -0.19 0.17 0.88 0.42 -1.91 0.00 0.00 174.94 174.31 1whb s THR 18 N -1.09 2.37 0.18 4.00 -4.23 -1.26 -2.13 115.64 113.48 1whb s THR 18 Ca 0.18 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1whb s THR 18 Cb -0.11 -2.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.92 1whb s THR 18 CO 0.09 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.60 1whb h ALA 19 N -0.19 0.60 -0.05 3.99 0.00 -1.96 -3.05 119.26 118.59 1whb h ALA 19 Ca -0.38 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 1whb h ALA 19 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1whb h ALA 19 CO 0.45 0.80 -0.37 -0.22 0.00 0.00 0.00 179.25 179.91 1whb h LYS 20 N 0.21 0.11 -0.18 0.00 3.11 -1.98 -2.87 116.57 114.96 1whb h LYS 20 Ca -0.03 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.59 1whb h LYS 20 Cb 1.34 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1whb h LYS 20 CO 0.12 0.47 -0.58 0.93 -2.81 0.00 0.00 179.45 177.58 1whb h GLU 21 N 0.09 0.58 -0.21 1.90 5.08 -1.94 -2.68 114.58 117.40 1whb h GLU 21 Ca 0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1whb h GLU 21 Cb 0.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1whb h GLU 21 CO 0.05 1.00 0.14 1.25 -1.00 0.00 0.00 179.01 180.45 1whb h LEU 22 N 0.44 0.25 0.12 1.33 5.85 -1.40 -2.05 115.31 119.84 1whb h LEU 22 Ca 0.00 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 1whb h LEU 22 Cb 1.14 -0.06 0.02 0.00 0.37 0.00 0.00 40.66 42.13 1whb h LEU 22 CO 0.11 0.18 -1.27 0.22 -0.34 0.00 0.00 178.44 177.35 1whb h TYR 23 N 0.29 0.74 -0.15 1.25 5.03 -1.50 -2.06 116.97 120.57 1whb h TYR 23 Ca 0.08 -0.51 -0.02 0.00 2.58 0.00 0.00 58.73 60.87 1whb h TYR 23 Cb -0.03 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1whb h TYR 23 CO 0.00 1.37 0.02 1.15 -1.32 0.00 0.00 178.16 179.39 1whb h THR 24 N 0.15 1.09 0.08 1.81 2.02 -1.05 -2.15 112.91 114.86 1whb h THR 24 Ca -0.17 -0.32 -0.31 0.00 0.77 0.00 0.00 66.41 66.38 1whb h THR 24 Cb 1.96 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1whb h THR 24 CO 0.22 0.11 -1.65 0.24 0.37 0.00 0.00 175.52 174.81 1whb h MET 25 N 0.21 0.17 -0.44 6.66 2.86 -1.45 -2.86 114.93 120.08 1whb h MET 25 Ca 0.05 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1whb h MET 25 Cb 0.12 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1whb h MET 25 CO -0.00 0.96 0.28 0.52 1.06 0.00 0.00 176.91 179.74 1whb h MET 26 N 0.05 0.59 0.02 1.72 2.07 -0.96 -2.45 114.93 115.97 1whb h MET 26 Ca -0.28 -0.04 -0.28 0.00 -2.07 0.00 0.00 59.70 57.03 1whb h MET 26 Cb 2.01 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 31.57 1whb h MET 26 CO 0.12 0.40 -1.54 1.79 1.07 0.00 0.00 176.91 178.75 1whb h THR 27 N 0.60 1.07 -1.75 2.22 1.35 -1.53 -3.44 112.91 111.43 1whb h THR 27 Ca 0.16 -2.86 -0.49 0.00 -0.55 0.00 0.00 66.41 62.67 1whb h THR 27 Cb -0.05 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1whb h THR 27 CO -0.03 0.67 1.57 -0.62 -0.25 0.00 0.00 175.52 176.86 1whb s ASP 28 N -6.41 4.73 0.21 5.36 -1.08 -0.92 -4.81 116.67 113.75 1whb s ASP 28 Ca -0.05 1.17 -0.01 0.00 -0.52 0.00 0.00 52.55 53.14 1whb s ASP 28 Cb 0.08 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 39.19 1whb s ASP 28 CO 0.82 -2.64 1.52 0.07 0.52 0.00 0.00 175.17 175.47 1whb h LYS 29 N 18.17 0.47 -0.75 4.34 2.10 -1.86 -3.09 116.57 135.94 1whb h LYS 29 Ca -0.28 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1whb h LYS 29 Cb 1.25 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.58 1whb h LYS 29 CO 1.12 0.90 0.47 -0.97 -2.00 0.00 0.00 179.45 178.97 1whb h ASN 30 N 0.36 0.87 -2.80 7.07 -1.24 -1.95 -3.42 115.58 114.46 1whb h ASN 30 Ca 0.00 -0.04 -0.59 0.00 0.71 0.00 0.00 56.30 56.39 1whb h ASN 30 Cb 1.09 -0.22 -0.06 0.00 0.73 0.00 0.00 38.32 39.86 1whb h ASN 30 CO 0.10 0.66 -0.53 -0.63 -1.29 0.00 0.00 177.43 175.73 1whb s ILE 31 N -5.80 4.88 0.40 2.57 1.01 -1.17 -5.12 121.20 117.97 1whb s ILE 31 Ca -0.11 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1whb s ILE 31 Cb 0.18 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1whb s ILE 31 CO 0.79 -0.01 0.35 -0.44 0.00 0.00 0.00 174.94 175.63 1whb s SER 32 N -2.88 5.08 -0.27 3.58 0.01 -1.26 -4.77 113.70 113.19 1whb s SER 32 Ca 0.32 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.60 1whb s SER 32 Cb -0.11 -0.65 0.18 0.00 0.21 0.00 0.00 66.02 65.64 1whb s SER 32 CO 0.25 -0.59 1.30 -0.22 0.41 0.00 0.00 173.24 174.40 1whb s LEU 33 N -4.10 -0.10 -0.01 2.44 2.96 -1.26 -3.31 118.68 115.30 1whb s LEU 33 Ca 0.46 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1whb s LEU 33 Cb -0.04 1.24 0.01 0.00 0.50 0.00 0.00 46.19 47.90 1whb s LEU 33 CO 0.27 -0.09 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.55 1whb s ILE 34 N -0.86 0.34 0.21 6.68 1.01 -1.18 -5.01 121.20 122.39 1whb s ILE 34 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1whb s ILE 34 Cb -0.02 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1whb s ILE 34 CO -0.07 0.12 0.18 -0.63 0.00 0.00 0.00 174.94 174.54 1whb s ILE 35 N 0.22 4.54 0.01 2.92 1.09 -1.26 -1.52 121.20 127.21 1whb s ILE 35 Ca -0.02 -1.21 -0.03 0.00 -1.10 0.00 0.00 60.65 58.29 1whb s ILE 35 Cb -0.05 -3.39 -0.01 0.00 -1.06 0.00 0.00 42.46 37.94 1whb s ILE 35 CO -0.00 -0.23 0.03 -0.04 -0.10 0.00 0.00 174.94 174.60 1whb s MET 36 N -3.50 0.37 -0.48 2.79 -1.94 -0.78 0.11 119.30 115.87 1whb s MET 36 Ca 0.32 -0.53 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 1whb s MET 36 Cb -0.09 0.14 0.12 0.00 2.01 0.00 0.00 34.83 37.01 1whb s MET 36 CO 0.25 -0.07 0.36 -0.51 -0.01 0.00 0.00 175.02 175.03 1whb s ASP 37 N -1.42 5.74 -1.44 3.03 1.11 -0.44 -1.27 116.67 121.98 1whb s ASP 37 Ca -0.15 -1.89 -0.13 0.00 0.18 0.00 0.00 52.55 50.56 1whb s ASP 37 Cb -0.09 -2.03 -0.02 0.00 1.07 0.00 0.00 42.92 41.86 1whb s ASP 37 CO -0.00 -0.70 2.43 0.00 1.18 0.00 0.00 175.17 178.08 1whb n ALA 38 N 4.94 5.98 -4.18 5.23 0.00 -1.25 -3.21 120.51 128.01 1whb n ALA 38 Ca -0.08 -3.66 -0.20 0.00 0.00 0.00 0.00 53.44 49.50 1whb n ALA 38 Cb 0.41 -3.48 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 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 5.32 0.50 -1.31 0.00 3.00 -1.23 -4.73 116.66 118.21 1whb n ARG 39 Ca 0.60 -3.16 -0.30 0.00 -0.01 0.00 0.00 57.85 54.98 1whb n ARG 39 Cb 0.33 2.72 0.11 0.00 0.00 0.00 0.00 32.46 35.62 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 -3.18 1.83 0.49 5.56 3.52 -1.26 -1.31 118.95 124.59 1whb s ARG 40 Ca 0.36 0.90 0.14 0.00 -0.13 0.00 0.00 55.73 57.01 1whb s ARG 40 Cb 0.01 -1.87 1.17 0.00 -1.56 0.00 0.00 34.95 32.70 1whb s ARG 40 CO 0.26 -1.87 2.11 1.98 -0.81 0.00 0.00 175.30 176.97 1whb h MET 41 N -1.28 0.14 -0.01 5.12 -1.53 -1.92 -0.95 114.93 114.49 1whb h MET 41 Ca -0.47 -0.01 -0.16 0.00 -3.44 0.00 0.00 59.70 55.63 1whb h MET 41 Cb 1.26 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 32.26 1whb h MET 41 CO 0.55 0.10 -0.71 0.37 0.14 0.00 0.00 176.91 177.35 1whb h GLN 42 N 0.15 0.07 -0.28 0.39 4.15 -2.00 -3.17 115.11 114.42 1whb h GLN 42 Ca 0.07 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1whb h GLN 42 Cb 0.08 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1whb h GLN 42 CO -0.01 0.75 0.08 -0.44 -1.93 0.00 0.00 178.83 177.28 1whb h ASP 43 N 0.05 0.42 -0.29 -0.69 3.32 -1.52 -2.11 116.42 115.59 1whb h ASP 43 Ca -0.01 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1whb h ASP 43 Cb 1.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1whb h ASP 43 CO 0.10 0.52 0.19 0.22 -1.72 0.00 0.00 179.24 178.55 1whb h TYR 44 N 0.29 0.37 -0.26 4.55 3.20 -1.53 -0.10 116.97 123.50 1whb h TYR 44 Ca 0.09 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1whb h TYR 44 Cb 0.26 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1whb h TYR 44 CO 0.01 0.24 -0.25 1.96 -1.64 0.00 0.00 178.16 178.48 1whb h GLN 45 N 0.40 0.63 0.45 1.82 1.08 -1.45 -3.35 115.11 114.69 1whb h GLN 45 Ca 0.11 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1whb h GLN 45 Cb -0.03 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1whb h GLN 45 CO -0.02 0.93 -0.21 -0.44 -0.95 0.00 0.00 178.83 178.13 1whb h ASP 46 N 0.35 -0.51 -4.39 1.46 5.19 -0.82 -3.47 116.42 114.23 1whb h ASP 46 Ca 0.04 0.02 -0.44 0.00 -0.62 0.00 0.00 57.03 56.03 1whb h ASP 46 Cb 0.81 0.13 -0.23 0.00 0.18 0.00 0.00 39.33 40.23 1whb h ASP 46 CO 0.06 -0.17 -0.79 -0.94 -3.12 0.00 0.00 179.24 174.28 1whb s SER 47 N -4.31 1.77 -0.28 6.45 1.04 -0.10 -4.68 113.70 113.60 1whb s SER 47 Ca -0.09 -0.56 -0.27 0.00 0.48 0.00 0.00 55.95 55.51 1whb s SER 47 Cb 0.01 -0.08 0.18 0.00 0.10 0.00 0.00 66.02 66.23 1whb s SER 47 CO 0.26 -0.02 1.35 0.00 0.98 0.00 0.00 173.24 175.81 1whb s ILE 49 N -0.48 3.68 0.00 0.00 1.01 -1.26 -1.55 121.20 122.60 1whb s ILE 49 Ca 0.07 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1whb s ILE 49 Cb -0.03 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1whb s ILE 49 CO -0.10 -0.18 0.58 0.18 0.00 0.00 0.00 174.94 175.42 1whb n LEU 50 N -0.82 0.00 -4.26 2.97 4.77 -1.19 -3.90 117.00 114.57 1whb n LEU 50 Ca 0.09 0.58 -0.40 0.00 -0.03 0.00 0.00 56.01 56.24 1whb n LEU 50 Cb 0.52 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1whb n LEU 50 CO 0.41 -0.08 2.09 1.41 -1.33 0.00 0.00 177.39 179.89 1whb n HIS 51 N -0.75 3.73 -3.91 -1.77 8.25 -1.26 -4.84 115.22 114.68 1whb n HIS 51 Ca 0.00 -2.51 -0.11 0.00 -0.26 0.00 0.00 57.72 54.83 1whb n HIS 51 Cb 0.00 -2.51 0.01 0.00 1.12 0.00 0.00 29.99 28.60 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 4.46 0.42 0.33 0.41 1.04 -1.25 -4.58 113.70 114.52 1whb s SER 52 Ca 0.55 -1.34 0.09 0.00 0.48 0.00 0.00 55.95 55.73 1whb s SER 52 Cb 0.07 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 1whb s SER 52 CO 0.05 -1.60 -0.00 -0.22 0.98 0.00 0.00 173.24 172.45 1whb s LEU 53 N -3.15 2.98 0.04 2.42 2.96 0.29 -4.89 118.68 119.33 1whb s LEU 53 Ca 0.21 -0.95 0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1whb s LEU 53 Cb -0.03 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1whb s LEU 53 CO 0.16 -0.19 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.81 1whb s SER 54 N -3.70 2.88 -0.29 3.68 1.04 -1.26 -1.33 113.70 114.73 1whb s SER 54 Ca 0.34 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 1whb s SER 54 Cb -0.01 -0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.01 1whb s SER 54 CO 0.19 0.22 0.59 0.54 0.98 0.00 0.00 173.24 175.76 1whb s VAL 55 N -0.79 -0.95 0.40 5.02 0.11 -1.20 -4.75 120.40 118.25 1whb s VAL 55 Ca 0.10 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 1whb s VAL 55 Cb -0.09 -0.97 -0.09 0.00 -1.53 0.00 0.00 36.38 33.70 1whb s VAL 55 CO 0.02 -0.01 1.27 -2.16 -3.33 0.00 0.00 175.10 170.89 1whb s PRO 56 N 2.83 4.00 0.42 1.54 0.04 -1.25 -3.52 135.00 139.06 1whb s PRO 56 Ca 0.10 2.09 0.17 0.00 0.04 0.00 0.00 61.00 63.40 1whb s PRO 56 Cb -0.14 -2.75 0.95 0.00 0.04 0.00 0.00 34.50 32.60 1whb s PRO 56 CO -0.19 -0.45 1.91 1.49 0.04 0.00 0.00 177.00 179.80 1whb h GLU 57 N 2.69 0.00 -0.37 4.56 4.22 -1.51 -2.58 114.58 121.59 1whb h GLU 57 Ca -0.49 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.05 1whb h GLU 57 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1whb h GLU 57 CO 0.63 0.27 0.28 0.93 -2.18 0.00 0.00 179.01 178.94 1whb h GLU 58 N 0.00 0.00 0.00 1.92 5.08 -1.91 -0.74 114.58 118.92 1whb h GLU 58 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 1whb h GLU 58 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1whb h GLU 58 CO 0.04 0.00 -1.65 0.00 -1.00 0.00 0.00 179.01 176.40 1whb h ALA 59 N 1.78 0.75 -1.58 3.43 0.00 -1.77 -3.42 119.26 118.45 1whb h ALA 59 Ca 0.18 -1.37 -0.67 0.00 0.00 0.00 0.00 54.91 53.04 1whb h ALA 59 Cb 0.74 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1whb h ALA 59 CO -0.00 1.49 1.21 0.42 0.00 0.00 0.00 179.25 182.37 1whb s ILE 60 N -2.65 4.51 0.22 0.00 1.01 -0.28 -4.46 121.20 119.54 1whb s ILE 60 Ca -0.04 -1.56 0.03 0.00 0.00 0.00 0.00 60.65 59.08 1whb s ILE 60 Cb 0.08 -4.91 -0.03 0.00 0.01 0.00 0.00 42.46 37.61 1whb s ILE 60 CO 0.82 -1.68 0.36 -0.44 0.00 0.00 0.00 174.94 174.00 1whb s SER 61 N 3.92 6.33 -0.20 3.58 0.01 -1.26 -4.85 113.70 121.23 1whb s SER 61 Ca 0.40 0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.56 1whb s SER 61 Cb -0.02 -1.92 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 1whb s SER 61 CO -0.07 -0.05 1.41 -2.16 0.41 0.00 0.00 173.24 172.78 1whb s PRO 62 N -3.67 4.03 0.00 12.44 0.04 -1.26 -2.79 135.00 143.79 1whb s PRO 62 Ca 0.36 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1whb s PRO 62 Cb -0.10 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1whb s PRO 62 CO 0.30 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1whb n GLY 63 N 4.13 3.08 2.69 0.56 0.00 -1.26 -5.08 105.19 109.30 1whb n GLY 63 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1whb n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1whb n VAL 64 N -1.63 0.00 -4.61 1.61 0.24 -1.12 -5.04 118.33 107.78 1whb n VAL 64 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1whb n VAL 64 Cb 0.00 -0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 31.59 1whb n VAL 64 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1whb s THR 65 N -1.91 1.32 0.48 3.34 -4.23 -1.26 -4.61 115.64 108.77 1whb s THR 65 Ca 0.47 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.11 1whb s THR 65 Cb -0.08 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.45 1whb s THR 65 CO 0.39 0.00 2.12 0.00 -0.54 0.00 0.00 174.62 176.59 1whb h ALA 66 N 1.71 1.90 -0.06 3.99 0.00 -1.24 -1.19 119.26 124.37 1whb h ALA 66 Ca -0.42 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1whb h ALA 66 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1whb h ALA 66 CO 0.72 0.09 -0.43 0.77 0.00 0.00 0.00 179.25 180.41 1whb h SER 67 N 0.20 0.14 0.46 0.00 0.02 -1.86 -2.34 113.55 110.17 1whb h SER 67 Ca 0.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1whb h SER 67 Cb -0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1whb h SER 67 CO -0.01 0.55 -0.22 -0.25 -1.14 0.00 0.00 176.83 175.76 1whb h TRP 68 N 0.11 -0.57 -0.69 3.45 2.91 -1.60 -1.74 115.95 117.83 1whb h TRP 68 Ca 0.01 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 1whb h TRP 68 Cb 0.80 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.61 1whb h TRP 68 CO 0.01 -0.35 0.19 0.82 -1.03 0.00 0.00 178.44 178.07 1whb h ILE 69 N -0.62 1.26 -0.20 2.65 5.03 -1.54 -2.37 117.51 121.72 1whb h ILE 69 Ca -0.06 -0.93 0.05 0.00 -0.12 0.00 0.00 64.86 63.80 1whb h ILE 69 Cb 0.47 0.54 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 1whb h ILE 69 CO 0.10 0.36 0.14 -0.08 -0.68 0.00 0.00 178.15 177.99 1whb h GLU 70 N 1.03 0.03 0.07 2.37 4.81 -1.28 -1.15 114.58 120.45 1whb h GLU 70 Ca 0.22 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.20 1whb h GLU 70 Cb 0.34 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1whb h GLU 70 CO -0.00 0.02 -1.13 0.00 -0.73 0.00 0.00 179.01 177.17 1whb h ALA 71 N 1.90 0.21 -3.03 2.92 0.00 -0.83 -3.39 119.26 117.05 1whb h ALA 71 Ca 0.09 -0.90 -0.70 0.00 0.00 0.00 0.00 54.91 53.41 1whb h ALA 71 Cb 0.34 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.70 1whb h ALA 71 CO -0.00 1.10 -0.26 -1.01 0.00 0.00 0.00 179.25 179.08 1whb s HIS 72 N -2.68 3.63 0.10 0.00 3.76 -0.44 -5.04 115.29 114.63 1whb s HIS 72 Ca -0.02 -2.89 -0.14 0.00 -0.15 0.00 0.00 55.06 51.86 1whb s HIS 72 Cb 0.08 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.61 1whb s HIS 72 CO 0.85 -0.77 0.34 -0.51 -0.85 0.00 0.00 174.74 173.80 1whb s LEU 73 N -0.73 0.71 0.00 0.89 1.43 -1.23 -4.78 118.68 114.96 1whb s LEU 73 Ca 0.22 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1whb s LEU 73 Cb -0.13 1.58 0.00 0.00 0.03 0.00 0.00 46.19 47.67 1whb s LEU 73 CO -0.08 -0.78 0.00 -2.65 0.23 0.00 0.00 176.35 173.06 1whb n PRO 74 N -0.05 0.17 -0.07 1.29 -0.02 -1.26 -4.84 135.00 130.21 1whb n PRO 74 Ca -0.16 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.25 1whb n PRO 74 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.08 1whb n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1whb n ASP 75 N -1.12 1.81 0.07 2.55 -0.08 -1.26 -3.84 116.55 114.68 1whb n ASP 75 Ca 0.00 0.62 -0.07 0.00 -1.51 0.00 0.00 54.79 53.83 1whb n ASP 75 Cb 0.00 -0.88 0.08 0.00 2.34 0.00 0.00 41.12 42.65 1whb n ASP 75 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1whb h ASP 76 N -1.00 0.35 -0.01 1.67 1.82 -2.01 -3.06 116.42 114.18 1whb h ASP 76 Ca -0.04 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1whb h ASP 76 Cb 0.60 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1whb h ASP 76 CO -0.03 0.91 -0.04 -1.28 -1.61 0.00 0.00 179.24 177.20 1whb h SER 77 N 0.21 0.11 -0.67 2.28 0.87 -1.90 -2.07 113.55 112.39 1whb h SER 77 Ca -0.02 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1whb h SER 77 Cb 1.20 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1whb h SER 77 CO 0.11 0.18 0.45 0.11 -0.53 0.00 0.00 176.83 177.14 1whb h LYS 78 N 0.13 0.87 0.79 2.24 1.57 -1.64 -0.60 116.57 119.93 1whb h LYS 78 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1whb h LYS 78 Cb 0.15 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1whb h LYS 78 CO 0.01 0.58 -0.38 0.22 -0.57 0.00 0.00 179.45 179.30 1whb h ASP 79 N 0.90 -0.90 -0.18 0.86 1.82 -1.50 -2.56 116.42 114.86 1whb h ASP 79 Ca 0.25 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1whb h ASP 79 Cb -0.08 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1whb h ASP 79 CO -0.06 -0.60 0.12 0.74 -1.61 0.00 0.00 179.24 177.83 1whb h THR 80 N -1.13 1.05 -0.32 2.25 2.02 -1.55 -1.38 112.91 113.84 1whb h THR 80 Ca -0.11 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1whb h THR 80 Cb 0.82 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1whb h THR 80 CO 0.18 0.05 0.14 -0.25 0.37 0.00 0.00 175.52 176.01 1whb h TRP 81 N 0.25 0.43 0.00 3.16 2.91 -0.88 -1.75 115.95 120.07 1whb h TRP 81 Ca 0.07 -0.01 -0.14 0.00 1.13 0.00 0.00 58.89 59.94 1whb h TRP 81 Cb -0.02 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.47 1whb h TRP 81 CO 0.00 0.33 -0.68 0.87 -1.03 0.00 0.00 178.44 177.93 1whb h LYS 82 N 0.45 0.00 0.00 2.65 1.57 -0.85 -3.15 116.57 117.23 1whb h LYS 82 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1whb h LYS 82 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1whb h LYS 82 CO -0.01 0.68 0.00 1.63 -0.57 0.00 0.00 179.45 181.17 1whb n LYS 83 N -3.29 0.14 -0.06 3.15 5.02 -0.68 -3.42 118.16 119.02 1whb n LYS 83 Ca 0.01 0.12 0.24 0.00 -2.02 0.00 0.00 58.31 56.66 1whb n LYS 83 Cb 0.80 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 35.03 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 0.00 0.00 -0.23 1.97 0.11 -1.47 0.62 114.38 115.38 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1whb h ARG 84 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1whb h ARG 84 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 1whb n GLY 85 N -1.64 0.16 0.06 0.08 0.00 -1.22 -3.77 105.19 98.86 1whb n GLY 85 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1whb n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whb n ASN 86 N 0.21 2.53 -3.51 1.61 2.85 0.21 -4.94 115.26 114.21 1whb n ASN 86 Ca 0.11 -0.02 -0.26 0.00 -0.11 0.00 0.00 54.58 54.30 1whb n ASN 86 Cb 0.23 0.51 0.20 0.00 1.24 0.00 0.00 39.78 41.97 1whb n ASN 86 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1whb n VAL 87 N -2.52 0.00 -0.06 3.44 0.24 -1.11 -4.98 118.33 113.34 1whb n VAL 87 Ca -0.19 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.34 61.45 1whb n VAL 87 Cb 0.82 -1.35 -0.07 0.00 -1.47 0.00 0.00 33.84 31.77 1whb n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1whb n GLU 88 N -4.04 1.18 -4.46 7.34 4.07 -1.25 -4.59 120.64 118.89 1whb n GLU 88 Ca 0.14 0.04 -0.22 0.00 -0.06 0.00 0.00 57.16 57.06 1whb n GLU 88 Cb 0.51 -1.27 -0.11 0.00 -0.06 0.00 0.00 31.44 30.52 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 -2.26 2.00 -0.12 4.31 1.51 -1.21 -3.75 117.35 117.83 1whb s TYR 89 Ca -0.12 -0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 54.89 1whb s TYR 89 Cb 0.04 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1whb s TYR 89 CO 0.36 0.06 0.35 0.08 -1.11 0.00 0.00 175.55 175.28 1whb s VAL 90 N -3.24 0.00 -0.00 0.71 1.01 -1.26 -3.10 120.40 114.52 1whb s VAL 90 Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1whb s VAL 90 Cb 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1whb s VAL 90 CO 0.15 -0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.47 1whb s VAL 91 N 0.12 0.62 0.51 2.92 1.01 -0.57 -1.84 120.40 123.16 1whb s VAL 91 Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1whb s VAL 91 Cb -0.03 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.86 1whb s VAL 91 CO 0.01 0.16 0.55 -0.76 0.00 0.00 0.00 175.10 175.06 1whb s LEU 92 N -0.23 3.13 0.42 3.92 1.43 0.22 -1.87 118.68 125.70 1whb s LEU 92 Ca 0.03 -0.88 0.05 0.00 -1.03 0.00 0.00 54.13 52.29 1whb s LEU 92 Cb -0.03 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1whb s LEU 92 CO -0.00 -1.03 0.17 -0.76 0.23 0.00 0.00 176.35 174.95 1whb s LEU 93 N -4.39 1.96 -0.01 1.79 1.43 -0.40 -1.67 118.68 117.39 1whb s LEU 93 Ca 0.50 -1.76 -0.28 0.00 -1.03 0.00 0.00 54.13 51.56 1whb s LEU 93 Cb -0.05 0.04 0.09 0.00 0.03 0.00 0.00 46.19 46.30 1whb s LEU 93 CO 0.30 -1.02 1.28 1.51 0.23 0.00 0.00 176.35 178.66 1whb s ASP 94 N -3.61 0.01 -0.23 2.29 1.47 -1.26 -3.78 116.67 111.57 1whb s ASP 94 Ca 0.24 -0.21 -0.08 0.00 1.18 0.00 0.00 52.55 53.68 1whb s ASP 94 Cb 0.01 0.15 -0.11 0.00 -0.34 0.00 0.00 42.92 42.63 1whb s ASP 94 CO 0.17 -0.31 -0.26 0.79 0.68 0.00 0.00 175.17 176.24 1whb n TRP 95 N -0.92 0.00 -2.75 2.11 5.03 -1.26 0.11 117.44 119.76 1whb n TRP 95 Ca 0.04 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.50 1whb n TRP 95 Cb 0.58 -0.82 0.04 0.00 -1.03 0.00 0.00 31.31 30.08 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 -3.76 -3.45 -2.72 -5.99 3.72 -1.26 -4.41 117.46 99.59 1whb n PHE 96 Ca -0.43 -1.68 -0.01 0.00 -0.05 0.00 0.00 57.45 55.28 1whb n PHE 96 Cb 0.85 1.55 0.02 0.00 -0.94 0.00 0.00 39.48 40.95 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 -1.18 -0.33 1.24 4.37 0.15 -1.26 -5.06 113.70 111.62 1whb s SER 97 Ca 0.32 -0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 1whb s SER 97 Cb 0.18 0.43 0.31 0.00 -1.71 0.00 0.00 66.02 65.23 1whb s SER 97 CO -0.21 -0.02 1.13 -1.20 1.20 0.00 0.00 173.24 174.14 1whb n SER 98 N 3.11 -1.97 0.09 5.45 7.64 -1.26 -4.61 113.62 122.06 1whb n SER 98 Ca 0.09 -1.20 0.16 0.00 1.01 0.00 0.00 58.87 58.93 1whb n SER 98 Cb 0.64 -1.03 0.69 0.00 -1.01 0.00 0.00 64.21 63.50 1whb n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whb h ALA 99 N -2.70 2.30 0.02 -0.43 0.00 -1.83 -0.07 119.26 116.55 1whb h ALA 99 Ca -0.42 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.23 1whb h ALA 99 Cb 1.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1whb h ALA 99 CO 0.28 -0.43 -1.28 0.87 0.00 0.00 0.00 179.25 178.68 1whb h LYS 100 N 0.00 0.05 0.00 0.00 1.57 -1.94 -3.26 116.57 112.98 1whb h LYS 100 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1whb h LYS 100 Cb 0.67 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1whb h LYS 100 CO -0.00 0.88 0.00 -0.25 -0.57 0.00 0.00 179.45 179.51 1whb n ASP 101 N -3.29 0.40 -4.63 0.86 8.00 -0.19 -4.88 116.55 112.84 1whb n ASP 101 Ca -0.07 0.55 -0.41 0.00 0.71 0.00 0.00 54.79 55.56 1whb n ASP 101 Cb 0.99 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1whb n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1whb n LEU 102 N -1.89 2.86 0.00 0.64 4.77 -0.36 -4.82 117.00 118.20 1whb n LEU 102 Ca 0.06 1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 57.05 1whb n LEU 102 Cb 0.36 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1whb n LEU 102 CO 0.27 -1.30 -0.03 0.00 -1.33 0.00 0.00 177.39 174.99 1whb n GLN 103 N 0.16 1.22 -2.59 3.23 6.02 -1.26 -5.07 117.38 119.08 1whb n GLN 103 Ca 0.09 -0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 56.05 1whb n GLN 103 Cb 0.39 0.27 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 1whb n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1whb s ILE 104 N -1.62 3.98 0.00 5.09 1.01 -1.26 -3.66 121.20 124.75 1whb s ILE 104 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1whb s ILE 104 Cb 0.00 -5.02 0.00 0.00 0.01 0.00 0.00 42.46 37.45 1whb s ILE 104 CO 0.02 -1.89 0.00 0.61 0.00 0.00 0.00 174.94 173.67 1whb n GLY 105 N 6.67 0.93 3.91 6.18 0.00 -1.26 -5.14 105.19 116.48 1whb n GLY 105 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1whb n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whb s THR 106 N -1.15 5.14 0.40 2.61 2.01 -1.24 -5.00 115.64 118.41 1whb s THR 106 Ca 0.00 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1whb s THR 106 Cb 0.00 -3.65 0.17 0.00 0.01 0.00 0.00 72.50 69.03 1whb s THR 106 CO 0.00 -0.10 1.94 0.74 -0.69 0.00 0.00 174.62 176.51 1whb h THR 107 N 1.70 1.16 0.04 -0.82 2.02 -1.93 -0.91 112.91 114.16 1whb h THR 107 Ca -0.48 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.91 1whb h THR 107 Cb 1.20 1.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1whb h THR 107 CO 0.67 0.22 -0.38 -0.07 0.37 0.00 0.00 175.52 176.33 1whb h LEU 108 N 0.22 0.27 -0.92 2.58 3.38 -1.91 -2.75 115.31 116.18 1whb h LEU 108 Ca 0.05 -0.86 0.01 0.00 0.09 0.00 0.00 57.88 57.16 1whb h LEU 108 Cb 0.33 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1whb h LEU 108 CO 0.02 1.11 0.61 -0.09 0.09 0.00 0.00 178.44 180.17 1whb h ARG 109 N -0.53 1.22 -0.10 1.13 2.43 -1.87 0.29 114.38 116.95 1whb h ARG 109 Ca -0.06 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1whb h ARG 109 Cb 1.20 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1whb h ARG 109 CO 0.07 0.81 -0.39 0.66 -1.51 0.00 0.00 179.97 179.62 1whb h SER 110 N 1.26 0.23 0.35 -3.80 4.64 -1.26 -2.31 113.55 112.65 1whb h SER 110 Ca 0.34 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 61.29 1whb h SER 110 Cb -0.13 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1whb h SER 110 CO -0.07 0.60 -1.21 0.25 -0.87 0.00 0.00 176.83 175.53 1whb h LEU 111 N 0.19 0.65 -1.36 5.97 5.85 -1.04 -1.33 115.31 124.23 1whb h LEU 111 Ca 0.02 -0.63 -0.07 0.00 0.84 0.00 0.00 57.88 58.05 1whb h LEU 111 Cb 0.77 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1whb h LEU 111 CO 0.06 1.46 -0.31 0.50 -0.34 0.00 0.00 178.44 179.81 1whb h LYS 112 N 0.19 0.01 0.00 1.25 3.11 -0.34 -2.68 116.57 118.11 1whb h LYS 112 Ca -0.16 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.58 1whb h LYS 112 Cb 1.89 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.10 1whb h LYS 112 CO 0.22 0.32 -1.31 -0.25 -2.81 0.00 0.00 179.45 175.61 1whb n ASP 113 N -4.17 0.78 -1.43 4.20 8.00 -0.88 -3.83 116.55 119.22 1whb n ASP 113 Ca -0.02 0.32 0.04 0.00 0.71 0.00 0.00 54.79 55.85 1whb n ASP 113 Cb 0.36 0.42 0.27 0.00 -0.02 0.00 0.00 41.12 42.14 1whb n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whb n ALA 114 N -2.31 3.44 0.00 2.24 0.00 -0.50 -0.30 120.51 123.08 1whb n ALA 114 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1whb n ALA 114 Cb 0.71 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.82 -0.05 0.00 4.77 -1.06 -2.41 117.00 120.48 1whb n LEU 115 Ca 0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1whb n LEU 115 Cb 0.89 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 1whb n LEU 115 CO 0.22 0.28 -0.77 0.33 -1.33 0.00 0.00 177.39 176.12 1whb n PHE 116 N -2.49 0.00 0.16 -1.77 7.35 -1.25 -4.77 117.46 114.70 1whb n PHE 116 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1whb n PHE 116 Cb 0.42 -0.41 -0.04 0.00 0.35 0.00 0.00 39.48 39.80 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 -0.48 -0.43 -5.61 -4.13 3.11 -1.74 -3.34 116.57 103.94 1whb h LYS 117 Ca -0.24 0.03 -0.65 0.00 -2.81 0.00 0.00 60.65 56.98 1whb h LYS 117 Cb 1.06 0.10 -0.13 0.00 -1.00 0.00 0.00 32.23 32.25 1whb h LYS 117 CO -0.15 -0.29 1.29 -1.58 -2.81 0.00 0.00 179.45 175.92 1whb s TRP 118 N -4.09 2.82 -0.08 1.91 0.52 0.59 -4.98 118.94 115.63 1whb s TRP 118 Ca -0.07 -1.17 0.01 0.00 0.02 0.00 0.00 56.10 54.89 1whb s TRP 118 Cb 0.01 -4.53 -0.03 0.00 -1.15 0.00 0.00 33.47 27.78 1whb s TRP 118 CO 0.22 -1.73 -0.10 -1.21 0.02 0.00 0.00 176.95 174.15 1whb s GLU 119 N 3.88 2.88 -0.09 4.98 2.02 -1.26 -2.66 118.70 128.45 1whb s GLU 119 Ca 0.41 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.82 1whb s GLU 119 Cb -0.02 -2.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.57 1whb s GLU 119 CO -0.08 0.53 -0.04 0.45 0.02 0.00 0.00 175.26 176.14 1whb n SER 120 N 2.61 3.15 0.00 -0.19 2.88 -1.26 -4.97 113.62 115.83 1whb n SER 120 Ca -0.18 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1whb n SER 120 Cb 0.53 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1whb n SER 120 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1whb n LYS 121 N -2.57 0.00 -2.18 -1.46 3.00 -1.26 -5.12 118.16 108.57 1whb n LYS 121 Ca -0.16 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.80 1whb n LYS 121 Cb 0.72 -0.06 0.01 0.00 0.00 0.00 0.00 35.03 35.69 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1whb s THR 122 N -1.70 2.98 0.04 3.15 2.01 -1.26 -5.05 115.64 115.80 1whb s THR 122 Ca 0.00 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1whb s THR 122 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1whb s THR 122 CO 0.00 -0.10 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.11 1whb s VAL 123 N -1.65 0.22 0.21 3.82 1.01 -1.26 -4.87 120.40 117.88 1whb s VAL 123 Ca 0.71 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1whb s VAL 123 Cb -0.27 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1whb s VAL 123 CO 0.31 -0.66 -0.13 -0.76 0.00 0.00 0.00 175.10 173.86 1whb s LEU 124 N -2.01 2.54 0.10 3.92 1.43 -1.26 -4.03 118.68 119.37 1whb s LEU 124 Ca -0.07 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.88 1whb s LEU 124 Cb -0.04 -0.66 -0.17 0.00 0.03 0.00 0.00 46.19 45.35 1whb s LEU 124 CO -0.04 -0.20 1.25 0.03 0.23 0.00 0.00 176.35 177.62 1whb h ARG 125 N 2.52 0.62 -4.42 1.70 2.47 -1.81 -3.47 114.38 111.99 1whb h ARG 125 Ca -0.38 -0.64 -0.18 0.00 -1.26 0.00 0.00 59.98 57.51 1whb h ARG 125 Cb 1.22 0.17 -0.15 0.00 -1.65 0.00 0.00 29.97 29.57 1whb h ARG 125 CO 0.63 1.24 -0.65 -0.80 0.56 0.00 0.00 179.97 180.95 1whb s ASN 126 N -7.20 0.33 0.33 7.04 0.01 -1.25 -5.09 114.94 109.12 1whb s ASN 126 Ca -0.09 -1.20 -0.28 0.00 -0.71 0.00 0.00 52.86 50.58 1whb s ASN 126 Cb 0.08 0.29 -0.10 0.00 0.41 0.00 0.00 41.25 41.93 1whb s ASN 126 CO 0.90 -0.72 1.21 -1.61 -1.51 0.00 0.00 177.10 175.37 1whb s GLU 127 N -4.04 4.37 0.21 -0.60 2.02 -1.26 -4.82 118.70 114.58 1whb s GLU 127 Ca 0.23 1.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.91 1whb s GLU 127 Cb 0.07 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1whb s GLU 127 CO 0.01 -0.09 1.41 -1.25 0.02 0.00 0.00 175.26 175.36 1whb s PRO 128 N -1.81 4.30 0.26 0.39 0.04 -1.26 -4.74 135.00 132.19 1whb s PRO 128 Ca 0.49 2.21 0.08 0.00 0.04 0.00 0.00 61.00 63.82 1whb s PRO 128 Cb -0.35 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1whb s PRO 128 CO 0.46 -0.40 0.12 -0.51 0.04 0.00 0.00 177.00 176.71 1whb s LEU 129 N 0.09 3.54 -0.13 -3.56 1.43 -0.76 -4.91 118.68 114.39 1whb s LEU 129 Ca 0.61 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1whb s LEU 129 Cb -0.40 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1whb s LEU 129 CO 0.38 -0.04 -0.02 0.54 0.23 0.00 0.00 176.35 177.44 1whb s VAL 130 N -2.23 4.07 0.48 -1.59 0.11 -1.26 0.71 120.40 120.70 1whb s VAL 130 Ca 0.33 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.83 1whb s VAL 130 Cb -0.07 -2.76 -0.07 0.00 -1.53 0.00 0.00 36.38 31.95 1whb s VAL 130 CO 0.23 0.53 1.39 -0.22 -3.33 0.00 0.00 175.10 173.70 1whb s LEU 131 N -0.13 4.03 -0.41 2.54 2.96 -0.67 -3.42 118.68 123.58 1whb s LEU 131 Ca 0.03 2.84 -0.29 0.00 -0.22 0.00 0.00 54.13 56.50 1whb s LEU 131 Cb -0.13 -4.05 0.01 0.00 0.50 0.00 0.00 46.19 42.52 1whb s LEU 131 CO 0.02 -1.28 1.40 -0.70 -1.32 0.00 0.00 176.35 174.47 1whb s GLU 132 N -2.60 3.59 0.00 1.98 -6.30 -0.90 -3.21 118.70 111.26 1whb s GLU 132 Ca 0.64 0.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1whb s GLU 132 Cb -0.42 -4.02 0.00 0.00 0.00 0.00 0.00 34.13 29.69 1whb s GLU 132 CO 0.52 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.67 1whb n GLY 133 N 5.04 3.00 2.37 -1.50 0.00 -1.26 -4.68 105.19 108.16 1whb n GLY 133 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.79 0.31 -0.02 0.00 -1.20 -4.07 105.19 98.42 1whb n GLY 134 Ca 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.95 -0.31 1.61 5.03 0.50 -0.87 116.97 123.89 1whb h TYR 135 Ca 0.00 -0.09 0.04 0.00 2.58 0.00 0.00 58.73 61.26 1whb h TYR 135 Cb 0.00 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 37.98 1whb h TYR 135 CO 0.00 0.78 0.21 1.49 -1.32 0.00 0.00 178.16 179.31 1whb h GLU 136 N 0.89 0.26 0.01 1.82 4.57 -1.76 -1.67 114.58 118.69 1whb h GLU 136 Ca 0.20 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 58.09 1whb h GLU 136 Cb 0.28 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1whb h GLU 136 CO -0.01 0.17 -1.48 -0.97 -1.18 0.00 0.00 179.01 175.55 1whb h ASN 137 N 0.27 0.03 -0.46 1.04 -1.24 -1.56 -3.33 115.58 110.32 1whb h ASN 137 Ca 0.13 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.11 1whb h ASN 137 Cb 0.18 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 1whb h ASN 137 CO -0.03 1.04 0.30 -0.25 -1.29 0.00 0.00 177.43 177.21 1whb h TRP 138 N 0.00 0.54 -0.32 0.67 2.91 -0.24 -1.43 115.95 118.09 1whb h TRP 138 Ca -0.20 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.75 1whb h TRP 138 Cb 1.94 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.39 1whb h TRP 138 CO 0.00 0.33 -0.15 -0.07 -1.03 0.00 0.00 178.44 177.53 1whb h LEU 139 N 0.58 0.56 -0.87 0.65 3.38 -1.57 0.64 115.31 118.67 1whb h LEU 139 Ca 0.18 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1whb h LEU 139 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1whb h LEU 139 CO -0.04 0.73 -0.52 -0.07 0.09 0.00 0.00 178.44 178.64 1whb h LEU 140 N 0.52 0.14 0.00 1.67 3.38 -1.42 -1.51 115.31 118.09 1whb h LEU 140 Ca 0.09 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1whb h LEU 140 Cb 0.56 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1whb h LEU 140 CO 0.04 0.63 -0.91 0.00 0.09 0.00 0.00 178.44 178.29 1whb n TYR 142 N -4.48 -0.31 0.31 0.00 4.01 0.22 -4.95 117.16 111.96 1whb n TYR 142 Ca -0.26 -3.47 0.16 0.00 -0.16 0.00 0.00 57.90 54.17 1whb n TYR 142 Cb 0.62 0.05 0.64 0.00 -0.31 0.00 0.00 39.34 40.34 1whb n TYR 142 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1whb h PRO 143 N 5.29 0.00 -1.17 -0.72 0.13 -1.38 -3.06 132.00 131.09 1whb h PRO 143 Ca 0.22 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.83 1whb h PRO 143 Cb 0.88 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.78 1whb h PRO 143 CO 0.43 0.00 0.67 0.00 -0.23 0.00 0.00 178.00 178.88 1whb n GLN 144 N -2.86 2.29 -1.45 0.86 10.64 -1.26 -4.09 117.38 121.50 1whb n GLN 144 Ca 0.01 -2.59 0.02 0.00 -1.83 0.00 0.00 57.00 52.61 1whb n GLN 144 Cb 0.28 -2.02 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 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 -0.50 0.02 -3.82 2.61 4.19 -1.16 -5.10 117.16 113.41 1whb n TYR 145 Ca 0.50 -0.56 -0.10 0.00 3.31 0.00 0.00 57.90 61.05 1whb n TYR 145 Cb 0.77 -0.02 -0.08 0.00 0.49 0.00 0.00 39.34 40.51 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 -0.11 0.11 0.27 2.97 -4.23 -1.26 -3.20 115.64 110.19 1whb s THR 146 Ca 0.27 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 1whb s THR 146 Cb 0.31 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1whb s THR 146 CO -0.13 -0.51 1.67 0.71 -0.54 0.00 0.00 174.62 175.82 1whb h THR 147 N 3.10 1.30 -3.46 3.99 1.35 -1.58 -3.41 112.91 114.20 1whb h THR 147 Ca -0.33 -1.52 -0.62 0.00 -0.55 0.00 0.00 66.41 63.40 1whb h THR 147 Cb 1.20 1.62 -0.37 0.00 -1.73 0.00 0.00 68.15 68.87 1whb h THR 147 CO 0.50 0.46 -0.81 0.21 -0.25 0.00 0.00 175.52 175.64 1whb s ASN 148 N -6.86 3.48 -0.20 5.36 2.47 -1.26 -4.97 114.94 112.97 1whb s ASN 148 Ca -0.06 -0.94 0.17 0.00 0.42 0.00 0.00 52.86 52.46 1whb s ASN 148 Cb 0.13 -1.24 -0.25 0.00 -1.45 0.00 0.00 41.25 38.44 1whb s ASN 148 CO 0.79 -0.16 0.08 0.00 -3.72 0.00 0.00 177.10 174.10 1whb n ALA 149 N 4.67 1.50 -3.22 1.71 0.00 -1.26 -4.65 120.51 119.27 1whb n ALA 149 Ca -0.14 -1.31 -0.46 0.00 0.00 0.00 0.00 53.44 51.52 1whb n ALA 149 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1whb n ALA 149 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1whb s LYS 150 N -2.49 3.40 -0.08 0.00 -0.14 -1.26 -4.77 119.74 114.40 1whb s LYS 150 Ca -0.10 -2.01 0.10 0.00 -1.36 0.00 0.00 55.97 52.59 1whb s LYS 150 Cb 0.06 -4.46 -0.14 0.00 -1.68 0.00 0.00 37.83 31.61 1whb s LYS 150 CO 0.82 -1.43 0.08 1.33 -0.76 0.00 0.00 175.35 175.40 1whb n VAL 151 N 4.73 0.54 -1.70 3.17 0.24 -1.26 -5.00 118.33 119.05 1whb n VAL 151 Ca 0.07 -0.39 -0.18 0.00 -2.04 0.00 0.00 64.34 61.80 1whb n VAL 151 Cb 0.45 -0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 32.26 1whb n VAL 151 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1whb n SER 152 N -2.27 -5.12 -0.91 -1.34 7.64 -1.26 -4.76 113.62 105.60 1whb n SER 152 Ca -0.13 0.33 0.12 0.00 1.01 0.00 0.00 58.87 60.20 1whb n SER 152 Cb 0.71 -4.18 -0.03 0.00 -1.01 0.00 0.00 64.21 59.70 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whb n GLY 153 N -0.86 -1.19 2.21 0.23 0.00 -1.26 -3.67 105.19 100.65 1whb n GLY 153 Ca -0.18 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1whb n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whb n PRO 154 N -2.86 2.94 -2.98 1.61 -0.04 -1.26 -4.69 135.00 127.72 1whb n PRO 154 Ca 0.00 -1.68 -0.14 0.00 -0.04 0.00 0.00 63.50 61.64 1whb n PRO 154 Cb 0.61 -2.46 0.02 0.00 -0.04 0.00 0.00 33.50 31.62 1whb n PRO 154 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whb n SER 155 N 3.20 -7.46 -4.50 3.54 2.88 -1.24 -4.86 113.62 105.17 1whb n SER 155 Ca 0.63 0.45 -0.44 0.00 -1.33 0.00 0.00 58.87 58.18 1whb n SER 155 Cb 0.48 -4.60 -0.00 0.00 -0.75 0.00 0.00 64.21 59.34 1whb n SER 155 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whb s SER 156 N -2.31 6.97 0.00 -3.46 1.04 -1.26 -5.25 113.70 109.43 1whb s SER 156 Ca 0.26 -2.76 0.00 0.00 0.48 0.00 0.00 55.95 53.93 1whb s SER 156 Cb -0.06 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1whb s SER 156 CO 0.78 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.71