#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bai s ALA 2 N 0.00 -1.85 -0.29 1.96 0.00 -1.26 -5.03 121.76 115.30 1bai s ALA 2 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1bai s ALA 2 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1bai s ALA 2 CO 0.00 -2.20 0.26 -1.64 0.00 0.00 0.00 175.76 172.18 1bai s MET 3 N 1.55 3.86 -0.02 0.00 -1.94 -1.26 -5.07 119.30 116.41 1bai s MET 3 Ca 0.19 -0.29 -0.27 0.00 -1.71 0.00 0.00 55.69 53.62 1bai s MET 3 Cb -0.05 -3.70 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 1bai s MET 3 CO -0.06 -0.28 0.85 0.99 -0.01 0.00 0.00 175.02 176.51 1bai s THR 4 N 1.86 4.93 -0.27 2.05 2.01 -1.26 -4.99 115.64 119.97 1bai s THR 4 Ca 0.09 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.58 1bai s THR 4 Cb -0.16 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 1bai s THR 4 CO 0.11 0.21 1.42 -0.04 -0.69 0.00 0.00 174.62 175.64 1bai s MET 5 N 0.84 3.85 0.23 4.92 1.00 -1.26 -5.02 119.30 123.86 1bai s MET 5 Ca 0.45 1.39 0.10 0.00 0.00 0.00 0.00 55.69 57.63 1bai s MET 5 Cb -0.20 -3.94 -0.04 0.00 0.00 0.00 0.00 34.83 30.65 1bai s MET 5 CO 0.24 -1.20 -0.11 -1.21 0.00 0.00 0.00 175.02 172.73 1bai s GLU 6 N 4.39 1.98 0.06 2.03 2.02 -1.26 -4.97 118.70 122.96 1bai s GLU 6 Ca 0.62 -1.44 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 1bai s GLU 6 Cb -0.20 -2.04 -0.27 0.00 0.10 0.00 0.00 34.13 31.72 1bai s GLU 6 CO 0.26 0.39 1.13 1.25 0.02 0.00 0.00 175.26 178.31 1bai h HIS 7 N 2.52 0.96 0.00 1.61 -0.00 -2.03 -3.40 115.15 114.82 1bai h HIS 7 Ca -0.45 -0.59 0.00 0.00 -0.00 0.00 0.00 60.37 59.33 1bai h HIS 7 Cb 1.23 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 1bai h HIS 7 CO 0.70 1.44 0.00 1.63 -0.00 0.00 0.00 177.93 181.69 1bai n LYS 8 N -3.78 0.00 -3.66 5.26 4.76 -1.26 -4.64 118.16 114.84 1bai n LYS 8 Ca -0.13 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.97 1bai n LYS 8 Cb 0.97 -0.12 -0.05 0.00 -1.84 0.00 0.00 35.03 33.99 1bai n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bai s ASP 9 N -2.45 6.57 0.62 4.39 1.01 -1.26 -5.08 116.67 120.47 1bai s ASP 9 Ca 0.00 0.68 -0.16 0.00 0.71 0.00 0.00 52.55 53.78 1bai s ASP 9 Cb 0.00 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1bai s ASP 9 CO 0.00 0.20 1.09 -0.13 0.21 0.00 0.00 175.17 176.54 1bai s ARG 10 N -1.90 3.06 -1.26 8.23 0.52 -1.26 -4.39 118.95 121.94 1bai s ARG 10 Ca 0.31 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 56.67 1bai s ARG 10 Cb -0.13 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.36 1bai s ARG 10 CO 0.18 -1.04 1.81 -2.14 0.02 0.00 0.00 175.30 174.13 1bai s PRO 11 N -4.00 3.40 -0.13 3.54 0.02 -1.26 -4.92 135.00 131.66 1bai s PRO 11 Ca 0.66 -1.68 -0.04 0.00 0.02 0.00 0.00 61.00 59.97 1bai s PRO 11 Cb -0.19 -5.42 -0.03 0.00 0.02 0.00 0.00 34.50 28.87 1bai s PRO 11 CO 0.38 -2.94 0.01 -0.51 -0.33 0.00 0.00 177.00 173.61 1bai s LEU 12 N 6.90 3.56 0.22 -5.54 1.43 -1.26 0.49 118.68 124.48 1bai s LEU 12 Ca 0.60 0.07 0.10 0.00 -1.03 0.00 0.00 54.13 53.86 1bai s LEU 12 Cb 0.02 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1bai s LEU 12 CO 0.10 0.28 -0.19 0.68 0.23 0.00 0.00 176.35 177.45 1bai s VAL 13 N -0.29 2.13 -0.16 -1.59 -7.23 0.86 -4.97 120.40 109.15 1bai s VAL 13 Ca 0.06 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.99 1bai s VAL 13 Cb -0.12 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1bai s VAL 13 CO 0.02 -0.37 0.10 -0.60 -0.31 0.00 0.00 175.10 173.94 1bai s ARG 14 N -3.20 3.74 0.27 4.82 3.52 -1.25 -0.54 118.95 126.32 1bai s ARG 14 Ca 0.23 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 1bai s ARG 14 Cb -0.05 -3.22 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 1bai s ARG 14 CO 0.10 0.50 -0.04 0.08 -0.81 0.00 0.00 175.30 175.13 1bai s VAL 15 N -0.25 1.49 -0.04 7.11 1.01 0.03 -2.55 120.40 127.20 1bai s VAL 15 Ca 0.10 -2.10 0.06 0.00 0.00 0.00 0.00 61.98 60.04 1bai s VAL 15 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1bai s VAL 15 CO 0.01 -0.29 -0.21 -0.51 0.00 0.00 0.00 175.10 174.10 1bai s ILE 16 N -3.11 1.72 -0.02 2.22 -1.16 -0.88 -1.37 121.20 118.59 1bai s ILE 16 Ca 0.30 -0.89 0.05 0.00 -0.51 0.00 0.00 60.65 59.59 1bai s ILE 16 Cb 0.05 -1.45 -0.01 0.00 0.61 0.00 0.00 42.46 41.65 1bai s ILE 16 CO 0.11 0.49 -0.16 -0.76 -2.81 0.00 0.00 174.94 171.81 1bai s LEU 17 N -0.17 1.97 -0.09 8.50 1.43 -0.59 -1.96 118.68 127.78 1bai s LEU 17 Ca -0.01 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1bai s LEU 17 Cb -0.11 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1bai s LEU 17 CO 0.02 0.17 -0.09 -0.89 0.23 0.00 0.00 176.35 175.79 1bai s THR 18 N -0.20 1.03 -0.71 5.49 2.01 -0.61 -1.80 115.64 120.85 1bai s THR 18 Ca 0.02 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1bai s THR 18 Cb -0.08 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.47 1bai s THR 18 CO 0.00 0.35 1.19 0.21 -0.69 0.00 0.00 174.62 175.68 1bai s ASN 19 N 1.18 6.18 -0.02 3.53 3.84 -0.58 -1.60 114.94 127.47 1bai s ASN 19 Ca -0.05 -0.55 0.01 0.00 0.21 0.00 0.00 52.86 52.48 1bai s ASN 19 Cb -0.14 -2.52 0.07 0.00 -0.55 0.00 0.00 41.25 38.11 1bai s ASN 19 CO -0.02 -1.71 0.65 0.35 -2.79 0.00 0.00 177.10 173.58 1bai n THR 20 N 6.28 0.22 -3.00 -5.21 -2.24 -1.05 -4.90 114.28 104.38 1bai n THR 20 Ca 0.02 -0.12 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 1bai n THR 20 Cb 0.48 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1bai n THR 20 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bai s GLY 21 N -0.15 2.87 -0.82 3.38 0.00 -1.26 -4.91 107.32 106.43 1bai s GLY 21 Ca 0.05 0.33 -0.06 0.00 0.00 0.00 0.00 44.72 45.04 1bai s GLY 21 CO 0.02 0.82 2.50 1.44 0.00 0.00 0.00 173.10 177.87 1bai n SER 22 N 1.46 5.54 -3.74 1.64 7.64 -1.26 -4.74 113.62 120.16 1bai n SER 22 Ca -0.05 -2.35 -0.14 0.00 1.01 0.00 0.00 58.87 57.35 1bai n SER 22 Cb 0.49 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 1bai n SER 22 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1bai s HIS 23 N 2.57 -0.29 0.44 1.43 -3.43 -1.26 -5.14 115.29 109.62 1bai s HIS 23 Ca 0.49 0.56 -0.25 0.00 -0.80 0.00 0.00 55.06 55.07 1bai s HIS 23 Cb 0.16 0.13 -0.09 0.00 -1.43 0.00 0.00 32.58 31.35 1bai s HIS 23 CO -0.03 -0.34 1.26 -0.35 -2.00 0.00 0.00 174.74 173.28 1bai n PRO 24 N 1.76 1.86 -4.08 -0.38 -0.04 -1.26 -5.02 135.00 127.84 1bai n PRO 24 Ca -0.19 0.67 -0.09 0.00 -0.04 0.00 0.00 63.50 63.85 1bai n PRO 24 Cb 0.56 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.53 1bai n PRO 24 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bai s VAL 25 N -1.22 0.36 0.05 0.52 -7.23 -1.26 -5.06 120.40 106.56 1bai s VAL 25 Ca 0.63 -1.55 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1bai s VAL 25 Cb -0.49 -1.17 -0.17 0.00 0.56 0.00 0.00 36.38 35.10 1bai s VAL 25 CO 0.57 -0.78 1.54 0.50 -0.31 0.00 0.00 175.10 176.63 1bai h LYS 26 N 3.60 -0.06 -3.67 4.82 3.11 -1.95 -3.43 116.57 119.00 1bai h LYS 26 Ca -0.34 0.00 -0.41 0.00 -2.81 0.00 0.00 60.65 57.09 1bai h LYS 26 Cb 1.17 0.01 -0.37 0.00 -1.00 0.00 0.00 32.23 32.04 1bai h LYS 26 CO 0.57 0.14 -0.76 -1.14 -2.81 0.00 0.00 179.45 175.45 1bai s GLN 27 N -5.44 0.47 0.08 1.90 0.74 -1.26 -5.06 119.66 111.10 1bai s GLN 27 Ca -0.14 0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.30 1bai s GLN 27 Cb 0.04 -0.81 -0.23 0.00 1.10 0.00 0.00 33.01 33.10 1bai s GLN 27 CO 0.66 -0.26 1.17 0.00 -0.55 0.00 0.00 175.29 176.30 1bai h ARG 28 N 8.09 0.50 -5.20 1.67 2.47 -1.93 -3.46 114.38 116.50 1bai h ARG 28 Ca -0.23 -0.65 -0.65 0.00 -1.26 0.00 0.00 59.98 57.19 1bai h ARG 28 Cb 1.13 0.21 -0.24 0.00 -1.65 0.00 0.00 29.97 29.42 1bai h ARG 28 CO 0.29 1.27 -0.69 0.45 0.56 0.00 0.00 179.97 181.85 1bai s SER 29 N -7.28 4.56 0.01 7.04 0.15 -1.26 -1.53 113.70 115.40 1bai s SER 29 Ca -0.07 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1bai s SER 29 Cb 0.07 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 1bai s SER 29 CO 0.91 0.11 -0.13 0.68 1.20 0.00 0.00 173.24 176.00 1bai s VAL 30 N 0.73 1.01 -0.16 4.45 -7.23 -0.75 -4.96 120.40 113.49 1bai s VAL 30 Ca -0.02 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1bai s VAL 30 Cb -0.15 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1bai s VAL 30 CO 0.02 0.15 0.12 -0.31 -0.31 0.00 0.00 175.10 174.76 1bai s TYR 31 N -0.54 3.44 0.12 2.82 2.02 -1.26 -1.54 117.35 122.41 1bai s TYR 31 Ca 0.03 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.07 1bai s TYR 31 Cb -0.06 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1bai s TYR 31 CO 0.00 0.44 0.08 0.96 -1.57 0.00 0.00 175.55 175.46 1bai s ILE 32 N -0.20 0.12 0.15 2.71 -4.36 -0.47 -4.99 121.20 114.15 1bai s ILE 32 Ca 0.10 -1.79 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1bai s ILE 32 Cb -0.12 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1bai s ILE 32 CO 0.01 -0.54 0.05 -0.89 0.24 0.00 0.00 174.94 173.80 1bai s THR 33 N -4.01 4.07 0.05 8.37 2.01 -1.26 -0.79 115.64 124.07 1bai s THR 33 Ca 0.19 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1bai s THR 33 Cb 0.07 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1bai s THR 33 CO -0.01 -0.04 0.24 0.00 -0.69 0.00 0.00 174.62 174.11 1bai s ALA 34 N -1.62 -0.48 -0.10 7.40 0.00 0.30 -4.22 121.76 123.04 1bai s ALA 34 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1bai s ALA 34 Cb -0.10 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1bai s ALA 34 CO 0.20 -0.40 0.00 -1.17 0.00 0.00 0.00 175.76 174.40 1bai s LEU 35 N -2.16 3.58 -0.06 0.00 2.96 -0.53 -0.10 118.68 122.36 1bai s LEU 35 Ca -0.04 0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 1bai s LEU 35 Cb -0.00 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1bai s LEU 35 CO -0.04 0.35 1.17 -0.76 -1.32 0.00 0.00 176.35 175.74 1bai s LEU 36 N -0.70 4.28 -0.27 -0.68 1.43 0.18 -0.64 118.68 122.27 1bai s LEU 36 Ca 0.11 1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 54.96 1bai s LEU 36 Cb -0.12 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1bai s LEU 36 CO 0.02 -0.56 0.10 -0.62 0.23 0.00 0.00 176.35 175.52 1bai s ASP 37 N 1.40 3.54 0.37 2.29 2.15 -0.57 -4.80 116.67 121.05 1bai s ASP 37 Ca 0.55 -1.29 0.27 0.00 0.43 0.00 0.00 52.55 52.50 1bai s ASP 37 Cb -0.24 -0.60 0.91 0.00 -0.30 0.00 0.00 42.92 42.70 1bai s ASP 37 CO 0.22 -0.40 1.78 0.71 -0.17 0.00 0.00 175.17 177.31 1bai h THR 38 N 6.46 0.00 -0.01 1.71 1.35 -1.95 -2.81 112.91 117.67 1bai h THR 38 Ca -0.16 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1bai h THR 38 Cb 1.04 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1bai h THR 38 CO 0.42 0.00 -0.19 0.61 -0.25 0.00 0.00 175.52 176.12 1bai n GLY 39 N 0.55 -0.63 3.56 5.82 0.00 -1.26 -4.80 105.19 108.43 1bai n GLY 39 Ca 0.03 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1bai n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bai s ALA 40 N -2.43 3.11 -0.47 4.61 0.00 -1.06 -5.01 121.76 120.51 1bai s ALA 40 Ca 0.27 -0.81 0.23 0.00 0.00 0.00 0.00 51.96 51.66 1bai s ALA 40 Cb 0.20 -1.57 0.18 0.00 0.00 0.00 0.00 23.12 21.93 1bai s ALA 40 CO 0.49 0.31 1.19 0.22 0.00 0.00 0.00 175.76 177.97 1bai h ASP 41 N 6.28 0.00 -4.01 0.00 3.58 -1.87 0.37 116.42 120.77 1bai h ASP 41 Ca -0.37 -0.14 -0.34 0.00 0.42 0.00 0.00 57.03 56.60 1bai h ASP 41 Cb 1.19 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.09 1bai h ASP 41 CO 0.62 0.07 -0.69 -1.81 -2.88 0.00 0.00 179.24 174.55 1bai s ASP 42 N -4.71 1.72 -0.01 2.28 1.01 -1.26 -3.66 116.67 112.05 1bai s ASP 42 Ca 0.03 -1.10 -0.15 0.00 0.71 0.00 0.00 52.55 52.04 1bai s ASP 42 Cb 0.12 0.01 -0.06 0.00 1.01 0.00 0.00 42.92 44.00 1bai s ASP 42 CO 0.75 -0.43 0.41 0.42 0.21 0.00 0.00 175.17 176.54 1bai s THR 43 N -3.41 5.04 -0.08 -1.27 -4.23 -1.26 -3.05 115.64 107.39 1bai s THR 43 Ca 0.22 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 1bai s THR 43 Cb 0.04 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.20 1bai s THR 43 CO 0.04 0.57 0.03 -0.69 -0.54 0.00 0.00 174.62 174.03 1bai s VAL 44 N -1.01 0.18 0.12 2.29 1.01 -0.78 -2.86 120.40 119.35 1bai s VAL 44 Ca 0.24 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 1bai s VAL 44 Cb -0.17 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 1bai s VAL 44 CO 0.13 0.16 0.63 -0.63 0.00 0.00 0.00 175.10 175.39 1bai s ILE 45 N 2.05 4.66 0.46 2.22 -1.09 -0.84 0.26 121.20 128.91 1bai s ILE 45 Ca 0.04 1.27 -0.23 0.00 -2.23 0.00 0.00 60.65 59.50 1bai s ILE 45 Cb -0.13 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1bai s ILE 45 CO -0.05 0.47 1.19 -0.55 -1.23 0.00 0.00 174.94 174.77 1bai s SER 46 N -1.26 6.14 0.52 3.58 0.15 -1.26 -3.00 113.70 118.58 1bai s SER 46 Ca 0.33 2.38 0.28 0.00 0.70 0.00 0.00 55.95 59.65 1bai s SER 46 Cb -0.19 -2.61 1.44 0.00 -1.71 0.00 0.00 66.02 62.95 1bai s SER 46 CO 0.21 -0.94 2.06 -0.33 1.20 0.00 0.00 173.24 175.43 1bai h GLU 47 N 2.12 0.00 0.54 5.44 5.08 -1.63 -1.07 114.58 125.06 1bai h GLU 47 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1bai h GLU 47 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1bai h GLU 47 CO 0.60 0.12 -0.26 1.49 -1.00 0.00 0.00 179.01 179.96 1bai h GLU 48 N 0.00 -0.70 -0.00 2.33 4.81 -1.90 -3.20 114.58 115.91 1bai h GLU 48 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1bai h GLU 48 Cb 0.37 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1bai h GLU 48 CO 0.02 -0.45 -0.25 -0.25 -0.73 0.00 0.00 179.01 177.34 1bai n ASP 49 N -5.39 0.58 -4.66 1.04 8.00 -1.13 -4.85 116.55 110.14 1bai n ASP 49 Ca -0.12 -0.44 -0.43 0.00 0.71 0.00 0.00 54.79 54.50 1bai n ASP 49 Cb 0.31 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 1bai n ASP 49 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1bai s TRP 50 N -2.70 3.19 -0.89 1.24 -0.11 -0.42 -4.90 118.94 114.35 1bai s TRP 50 Ca 0.21 1.33 -0.25 0.00 1.22 0.00 0.00 56.10 58.61 1bai s TRP 50 Cb 0.19 -3.34 -0.04 0.00 -1.50 0.00 0.00 33.47 28.78 1bai s TRP 50 CO 0.56 -0.86 1.91 -2.14 -4.62 0.00 0.00 176.95 171.80 1bai s PRO 51 N 3.25 2.61 -0.94 5.86 0.02 -1.26 -4.80 135.00 139.74 1bai s PRO 51 Ca 0.48 -0.27 -0.24 0.00 0.02 0.00 0.00 61.00 60.98 1bai s PRO 51 Cb -0.17 -5.03 -0.07 0.00 0.02 0.00 0.00 34.50 29.25 1bai s PRO 51 CO 0.09 -3.27 2.01 0.99 -0.33 0.00 0.00 177.00 176.49 1bai s THR 52 N 9.75 3.39 0.00 0.99 2.01 -1.26 -1.69 115.64 128.83 1bai s THR 52 Ca 0.69 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1bai s THR 52 Cb -0.07 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1bai s THR 52 CO 0.00 -0.80 0.00 -0.90 -0.69 0.00 0.00 174.62 172.24 1bai n ASP 53 N 14.90 0.00 -4.35 3.53 5.68 -1.26 -5.09 116.55 129.97 1bai n ASP 53 Ca 0.42 -0.21 -0.38 0.00 -0.50 0.00 0.00 54.79 54.11 1bai n ASP 53 Cb 0.46 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.32 1bai n ASP 53 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1bai s TRP 54 N 0.00 3.20 0.71 2.11 0.52 -0.68 -4.91 118.94 119.89 1bai s TRP 54 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 56.10 54.95 1bai s TRP 54 Cb 0.00 -2.32 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1bai s TRP 54 CO 0.00 -0.61 1.16 -1.25 0.02 0.00 0.00 176.95 176.27 1bai s PRO 55 N 1.51 2.34 0.31 4.98 0.04 -1.26 -4.94 135.00 137.97 1bai s PRO 55 Ca 0.02 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1bai s PRO 55 Cb -0.18 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1bai s PRO 55 CO 0.04 -1.65 0.06 0.14 0.04 0.00 0.00 177.00 175.64 1bai s VAL 56 N -2.20 1.09 0.09 -0.36 -7.23 -1.26 -1.55 120.40 108.98 1bai s VAL 56 Ca 0.70 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1bai s VAL 56 Cb -0.25 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1bai s VAL 56 CO 0.45 -0.00 -0.21 -0.04 -0.31 0.00 0.00 175.10 174.99 1bai s MET 57 N -3.92 1.14 0.00 4.82 -1.94 0.15 -4.76 119.30 114.79 1bai s MET 57 Ca 0.37 -1.13 0.27 0.00 -1.71 0.00 0.00 55.69 53.49 1bai s MET 57 Cb 0.09 -1.38 1.35 0.00 2.01 0.00 0.00 34.83 36.89 1bai s MET 57 CO 0.15 0.32 1.92 0.39 -0.01 0.00 0.00 175.02 177.80 1bai n GLU 58 N 1.18 0.34 0.00 2.03 -0.58 -1.26 0.35 120.64 122.70 1bai n GLU 58 Ca -0.19 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1bai n GLU 58 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1bai n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bai n ALA 59 N -1.31 -0.41 -0.25 0.62 0.00 -1.26 -4.59 120.51 113.30 1bai n ALA 59 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1bai n ALA 59 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1bai n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bai n ALA 60 N 0.00 0.00 -3.50 0.00 0.00 -1.26 -4.64 120.51 111.11 1bai n ALA 60 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1bai n ALA 60 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1bai n ALA 60 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1bai s ASN 61 N -4.00 -0.36 -0.72 0.00 3.84 -1.26 -5.02 114.94 107.42 1bai s ASN 61 Ca 0.00 0.67 -0.23 0.00 0.21 0.00 0.00 52.86 53.50 1bai s ASN 61 Cb 0.00 0.60 -0.18 0.00 -0.55 0.00 0.00 41.25 41.12 1bai s ASN 61 CO 0.00 -0.15 1.89 -2.65 -2.79 0.00 0.00 177.10 173.40 1bai n PRO 62 N 3.69 1.33 0.00 0.43 -0.02 -1.26 -4.81 135.00 134.35 1bai n PRO 62 Ca -0.20 -1.80 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 1bai n PRO 62 Cb 0.56 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1bai n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1bai n GLN 63 N 7.25 0.67 -2.81 -0.52 1.13 -1.26 -4.61 117.38 117.22 1bai n GLN 63 Ca 0.49 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.50 1bai n GLN 63 Cb 0.41 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.77 1bai n GLN 63 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1bai n ILE 64 N 0.00-10.13 -4.46 5.09 2.08 -1.26 -3.61 119.36 107.06 1bai n ILE 64 Ca 0.00 0.48 -0.27 0.00 0.56 0.00 0.00 62.75 63.51 1bai n ILE 64 Cb 0.00 -6.94 -0.13 0.00 -0.75 0.00 0.00 39.64 31.82 1bai n ILE 64 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1bai s HIS 65 N -2.66 2.12 0.08 1.39 3.76 -1.26 0.59 115.29 119.32 1bai s HIS 65 Ca 0.15 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.42 1bai s HIS 65 Cb -0.04 -1.18 0.09 0.00 1.11 0.00 0.00 32.58 32.55 1bai s HIS 65 CO 0.71 0.25 1.17 0.20 -0.85 0.00 0.00 174.74 176.21 1bai s GLY 66 N -1.81 0.01 -0.71 -2.22 0.00 -1.06 -5.00 107.32 96.53 1bai s GLY 66 Ca 0.11 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 1bai s GLY 66 CO 0.05 4.38 1.99 -0.26 0.00 0.00 0.00 173.10 179.25 1bai s ILE 67 N -2.04 3.32 0.00 0.90 -0.00 -1.26 -2.18 121.20 119.95 1bai s ILE 67 Ca 0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.88 1bai s ILE 67 Cb -0.02 -3.80 0.00 0.00 -0.00 0.00 0.00 42.46 38.64 1bai s ILE 67 CO 0.02 -0.76 0.00 0.61 -0.00 0.00 0.00 174.94 174.81 1bai n GLY 68 N 6.21 -0.90 0.00 6.27 0.00 -1.26 -5.12 105.19 110.39 1bai n GLY 68 Ca 0.31 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1bai n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bai n GLY 69 N 0.00 -0.08 3.27 -0.02 0.00 -0.93 -5.13 105.19 102.30 1bai n GLY 69 Ca 0.00 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1bai n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bai s GLY 70 N 0.00 1.18 -0.00 -0.02 0.00 -1.26 -2.56 107.32 104.65 1bai s GLY 70 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1bai s GLY 70 CO 0.00 -1.25 -0.01 -0.42 0.00 0.00 0.00 173.10 171.41 1bai s ILE 71 N -1.38 0.10 0.68 0.90 -1.09 0.20 -4.98 121.20 115.64 1bai s ILE 71 Ca 0.06 -0.05 -0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1bai s ILE 71 Cb -0.09 -0.10 -0.01 0.00 -1.58 0.00 0.00 42.46 40.68 1bai s ILE 71 CO 0.04 0.03 0.98 -2.65 -1.23 0.00 0.00 174.94 172.12 1bai n PRO 72 N 3.11 0.65 -4.18 2.79 -0.02 -1.26 -4.18 135.00 131.91 1bai n PRO 72 Ca -0.13 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1bai n PRO 72 Cb 0.59 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1bai n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1bai s VAL 73 N -1.70 0.84 0.30 -1.45 -7.23 -1.26 -4.54 120.40 105.36 1bai s VAL 73 Ca 0.75 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1bai s VAL 73 Cb -0.37 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1bai s VAL 73 CO 0.48 -0.77 0.11 -0.13 -0.31 0.00 0.00 175.10 174.49 1bai s ARG 74 N -3.52 1.56 -0.07 4.82 3.00 0.17 -4.66 118.95 120.25 1bai s ARG 74 Ca 0.11 -1.87 -0.05 0.00 0.00 0.00 0.00 55.73 53.91 1bai s ARG 74 Cb 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 34.95 34.62 1bai s ARG 74 CO -0.02 -0.33 0.17 -1.59 0.00 0.00 0.00 175.30 173.52 1bai s LYS 75 N -3.92 0.19 0.26 3.54 -2.85 0.15 -0.32 119.74 116.79 1bai s LYS 75 Ca 0.35 0.27 -0.31 0.00 -1.00 0.00 0.00 55.97 55.29 1bai s LYS 75 Cb 0.07 0.05 -0.12 0.00 -2.06 0.00 0.00 37.83 35.76 1bai s LYS 75 CO 0.15 -0.05 1.56 -1.13 0.10 0.00 0.00 175.35 175.98 1bai n SER 76 N 3.23 3.54 0.25 0.03 3.41 -0.66 0.34 113.62 123.76 1bai n SER 76 Ca -0.15 1.13 -0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1bai n SER 76 Cb 0.57 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 1bai n SER 76 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bai h ARG 77 N 4.88 -0.67 -6.72 4.33 2.43 -1.58 -3.44 114.38 113.61 1bai h ARG 77 Ca -0.46 0.05 -0.51 0.00 -0.81 0.00 0.00 59.98 58.25 1bai h ARG 77 Cb 1.24 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1bai h ARG 77 CO 0.80 -0.41 0.45 -0.51 -1.51 0.00 0.00 179.97 178.80 1bai s ASP 78 N -4.77 7.34 0.26 -3.80 1.01 -1.26 -4.98 116.67 110.48 1bai s ASP 78 Ca -0.12 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 54.96 1bai s ASP 78 Cb 0.01 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1bai s ASP 78 CO 0.37 -0.13 1.52 -0.32 0.21 0.00 0.00 175.17 176.82 1bai s MET 79 N -0.85 4.20 -0.03 8.23 1.75 -1.26 -4.75 119.30 126.59 1bai s MET 79 Ca 0.46 2.43 0.02 0.00 -1.25 0.00 0.00 55.69 57.35 1bai s MET 79 Cb -0.29 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.27 1bai s MET 79 CO 0.36 -0.52 -0.07 0.42 -0.65 0.00 0.00 175.02 174.55 1bai s ILE 80 N 0.06 3.62 -0.20 10.11 -1.09 0.36 -2.54 121.20 131.52 1bai s ILE 80 Ca 0.62 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 58.28 1bai s ILE 80 Cb -0.45 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1bai s ILE 80 CO 0.45 0.48 0.11 -0.70 -1.23 0.00 0.00 174.94 174.04 1bai s GLU 81 N -1.15 4.07 -0.11 2.79 2.12 -0.63 -0.67 118.70 125.12 1bai s GLU 81 Ca 0.15 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1bai s GLU 81 Cb -0.11 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1bai s GLU 81 CO 0.05 0.24 -0.23 -1.17 -0.54 0.00 0.00 175.26 173.62 1bai s LEU 82 N 0.49 2.15 -0.07 2.70 0.20 0.47 -1.57 118.68 123.04 1bai s LEU 82 Ca 0.06 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.37 1bai s LEU 82 Cb -0.12 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.21 1bai s LEU 82 CO -0.00 0.14 -0.18 -0.83 -0.29 0.00 0.00 176.35 175.19 1bai s GLY 83 N 0.43 1.04 -0.56 7.98 0.00 -0.83 -2.18 107.32 113.20 1bai s GLY 83 Ca -0.16 -0.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.66 1bai s GLY 83 CO 0.07 -0.18 0.72 0.14 0.00 0.00 0.00 173.10 173.84 1bai s VAL 84 N 0.37 4.75 -0.17 1.40 1.01 -1.26 -2.08 120.40 124.42 1bai s VAL 84 Ca -0.13 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1bai s VAL 84 Cb -0.16 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 1bai s VAL 84 CO 0.05 -1.04 0.82 -0.63 0.00 0.00 0.00 175.10 174.30 1bai s ILE 85 N 2.91 4.89 0.59 2.22 1.09 -1.06 -0.45 121.20 131.40 1bai s ILE 85 Ca 0.15 1.61 0.04 0.00 -1.10 0.00 0.00 60.65 61.34 1bai s ILE 85 Cb -0.21 -4.13 0.07 0.00 -1.06 0.00 0.00 42.46 37.14 1bai s ILE 85 CO 0.10 0.03 0.82 0.54 -0.10 0.00 0.00 174.94 176.33 1bai s ASN 86 N 1.16 4.98 -0.90 3.58 4.22 0.48 -3.86 114.94 124.62 1bai s ASN 86 Ca 0.38 -0.39 -0.25 0.00 -2.14 0.00 0.00 52.86 50.45 1bai s ASN 86 Cb -0.16 -0.28 -0.13 0.00 1.28 0.00 0.00 41.25 41.96 1bai s ASN 86 CO 0.12 -1.37 2.21 -0.60 -2.04 0.00 0.00 177.10 175.42 1bai s ARG 87 N -4.81 1.83 0.00 3.55 3.52 -1.26 -0.71 118.95 121.08 1bai s ARG 87 Ca 0.61 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 1bai s ARG 87 Cb -0.08 -4.92 0.00 0.00 -1.56 0.00 0.00 34.95 28.39 1bai s ARG 87 CO 0.40 -4.33 0.00 -0.40 -0.81 0.00 0.00 175.30 170.16 1bai n ASP 88 N 17.37 0.00 0.00 -2.12 5.68 -1.26 -4.88 116.55 131.35 1bai n ASP 88 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 1bai n ASP 88 Cb 0.45 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1bai n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bai n GLY 89 N 0.00 1.44 3.66 6.12 0.00 0.12 -4.99 105.19 111.53 1bai n GLY 89 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bai n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bai s SER 90 N -3.00 6.68 0.57 1.61 1.04 -1.25 -4.69 113.70 114.65 1bai s SER 90 Ca 0.00 2.05 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 1bai s SER 90 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1bai s SER 90 CO 0.00 -0.94 0.95 -1.48 0.98 0.00 0.00 173.24 172.74 1bai s LEU 91 N 4.12 3.38 0.00 2.42 0.05 -1.26 -0.38 118.68 127.00 1bai s LEU 91 Ca 0.70 1.26 0.00 0.00 0.05 0.00 0.00 54.13 56.14 1bai s LEU 91 Cb -0.30 -4.28 0.00 0.00 -2.05 0.00 0.00 46.19 39.56 1bai s LEU 91 CO 0.27 -0.76 0.00 -0.62 -0.55 0.00 0.00 176.35 174.69 1bai n GLU 92 N -2.53 3.50 -3.48 1.48 -0.58 0.41 -4.89 120.64 114.56 1bai n GLU 92 Ca 0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 1bai n GLU 92 Cb 0.54 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.35 1bai n GLU 92 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1bai s ARG 93 N 2.19 4.18 0.16 3.49 3.00 -1.26 -4.85 118.95 125.86 1bai s ARG 93 Ca 0.00 0.26 -0.30 0.00 -1.00 0.00 0.00 55.73 54.68 1bai s ARG 93 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 34.95 31.49 1bai s ARG 93 CO 0.00 0.33 1.27 -2.14 0.00 0.00 0.00 175.30 174.77 1bai s PRO 94 N 0.13 4.41 0.23 5.12 0.02 -1.26 -4.62 135.00 139.03 1bai s PRO 94 Ca 0.21 1.97 0.10 0.00 0.02 0.00 0.00 61.00 63.29 1bai s PRO 94 Cb -0.14 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 1bai s PRO 94 CO 0.08 -0.24 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.90 1bai s LEU 95 N 0.20 2.90 -0.07 -5.54 1.43 -0.93 -4.97 118.68 111.70 1bai s LEU 95 Ca 0.57 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1bai s LEU 95 Cb -0.34 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1bai s LEU 95 CO 0.35 0.06 -0.03 -0.76 0.23 0.00 0.00 176.35 176.20 1bai s LEU 96 N -3.19 0.93 0.00 1.79 1.43 -1.26 -0.40 118.68 117.98 1bai s LEU 96 Ca 0.27 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1bai s LEU 96 Cb -0.07 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1bai s LEU 96 CO 0.16 -0.14 0.00 0.00 0.23 0.00 0.00 176.35 176.60 1bai n LEU 97 N 4.81 0.00 -3.46 1.79 -0.00 0.15 -4.90 117.00 115.39 1bai n LEU 97 Ca -0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.61 1bai n LEU 97 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 1bai n LEU 97 CO 0.15 0.00 -0.28 -0.36 -0.00 0.00 0.00 177.39 176.90 1bai s PHE 98 N -5.31 1.40 0.95 1.47 0.40 -1.26 0.14 117.98 115.77 1bai s PHE 98 Ca 0.00 -2.44 -0.12 0.00 -0.60 0.00 0.00 56.93 53.77 1bai s PHE 98 Cb 0.00 -1.16 0.08 0.00 0.51 0.00 0.00 43.02 42.45 1bai s PHE 98 CO 0.00 -0.79 0.61 -2.30 0.70 0.00 0.00 175.22 173.44 1bai n PRO 99 N 2.78 -0.44 -3.38 0.24 -0.02 -1.26 -4.38 135.00 128.54 1bai n PRO 99 Ca 0.28 -0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 1bai n PRO 99 Cb 0.46 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1bai n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bai s LEU 100 N -2.76 4.10 -0.09 2.45 1.43 -1.13 -1.66 118.68 121.02 1bai s LEU 100 Ca 0.60 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1bai s LEU 100 Cb -0.21 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1bai s LEU 100 CO 0.65 -0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 176.31 1bai s VAL 101 N -1.97 0.99 0.26 -1.59 1.01 0.56 -1.98 120.40 117.67 1bai s VAL 101 Ca 0.45 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1bai s VAL 101 Cb -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1bai s VAL 101 CO 0.27 0.35 0.67 0.00 0.00 0.00 0.00 175.10 176.39 1bai s ALA 102 N 1.38 -1.17 -1.25 5.51 0.00 -1.16 -0.66 121.76 124.40 1bai s ALA 102 Ca -0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1bai s ALA 102 Cb -0.14 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1bai s ALA 102 CO -0.04 -0.98 2.28 -0.12 0.00 0.00 0.00 175.76 176.90 1bai n MET 103 N -0.44 2.59 -3.05 0.00 0.00 -1.26 -1.80 117.12 113.16 1bai n MET 103 Ca -0.06 -2.19 -0.39 0.00 -0.00 0.00 0.00 57.70 55.06 1bai n MET 103 Cb 0.60 -2.99 -0.06 0.00 0.00 0.00 0.00 33.22 30.77 1bai n MET 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1bai s THR 104 N 3.47 4.56 0.43 1.12 2.01 -1.26 -4.94 115.64 121.03 1bai s THR 104 Ca 0.53 1.57 0.36 0.00 0.31 0.00 0.00 61.69 64.45 1bai s THR 104 Cb 0.14 -4.08 0.38 0.00 0.01 0.00 0.00 72.50 68.96 1bai s THR 104 CO -0.03 0.48 2.17 1.55 -0.69 0.00 0.00 174.62 178.11 1bai h PRO 105 N 4.78 0.00 -3.94 4.92 0.13 -1.99 -3.43 132.00 132.46 1bai h PRO 105 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 1bai h PRO 105 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1bai h PRO 105 CO 0.67 0.04 -0.40 0.54 -0.23 0.00 0.00 178.00 178.62 1bai s VAL 106 N -4.06 0.11 -0.08 1.56 0.11 -1.26 -5.07 120.40 111.71 1bai s VAL 106 Ca -0.03 -1.40 -0.25 0.00 -2.93 0.00 0.00 61.98 57.37 1bai s VAL 106 Cb 0.12 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 1bai s VAL 106 CO 0.51 -0.50 0.80 0.20 -3.33 0.00 0.00 175.10 172.78 1bai s ASN 107 N -2.93 7.07 -0.15 3.54 0.01 -1.26 -4.47 114.94 116.75 1bai s ASN 107 Ca 0.13 1.30 -0.03 0.00 -0.71 0.00 0.00 52.86 53.54 1bai s ASN 107 Cb 0.05 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1bai s ASN 107 CO -0.05 -0.22 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.66 1bai s ILE 108 N 1.20 3.94 -0.63 0.60 1.01 0.14 -1.46 121.20 126.00 1bai s ILE 108 Ca 0.41 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 1bai s ILE 108 Cb -0.18 -2.72 0.16 0.00 0.01 0.00 0.00 42.46 39.73 1bai s ILE 108 CO 0.19 0.50 0.60 -0.76 0.00 0.00 0.00 174.94 175.47 1bai s LEU 109 N 0.22 6.31 1.00 2.97 1.43 0.18 -1.87 118.68 128.92 1bai s LEU 109 Ca -0.02 -2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 50.89 1bai s LEU 109 Cb -0.14 -2.22 0.19 0.00 0.03 0.00 0.00 46.19 44.05 1bai s LEU 109 CO 0.03 -0.79 1.14 -0.83 0.23 0.00 0.00 176.35 176.12 1bai s GLY 110 N 3.17 1.59 0.29 -3.19 0.00 -1.17 -1.51 107.32 106.50 1bai s GLY 110 Ca 0.08 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.21 1bai s GLY 110 CO -0.01 0.03 1.76 3.21 0.00 0.00 0.00 173.10 178.09 1bai h ARG 111 N -1.85 0.64 -0.25 2.90 3.08 -0.32 -1.03 114.38 117.55 1bai h ARG 111 Ca -0.50 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.57 1bai h ARG 111 Cb 1.32 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 1bai h ARG 111 CO 0.53 0.42 -0.22 0.38 -1.07 0.00 0.00 179.97 180.02 1bai h ASP 112 N 0.66 -0.71 -0.07 7.04 2.03 -1.82 0.95 116.42 124.51 1bai h ASP 112 Ca 0.55 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 1bai h ASP 112 Cb 0.87 0.34 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1bai h ASP 112 CO -0.40 -0.26 0.00 0.00 -1.03 0.00 0.00 179.24 177.55 1bai h LEU 114 N 1.56 0.00 -1.16 0.00 5.85 0.14 -3.25 115.31 118.45 1bai h LEU 114 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bai h LEU 114 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1bai h LEU 114 CO 0.00 0.73 -0.16 0.00 -0.34 0.00 0.00 178.44 178.68 1bai n GLN 115 N -2.96 1.59 0.02 1.25 10.64 0.28 -2.67 117.38 125.53 1bai n GLN 115 Ca -0.12 -1.16 0.11 0.00 -1.83 0.00 0.00 57.00 54.00 1bai n GLN 115 Cb 0.92 -1.48 0.07 0.00 -0.86 0.00 0.00 30.24 28.89 1bai n GLN 115 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bai n GLY 116 N 1.31 -1.22 0.07 2.61 0.00 -1.15 -3.38 105.19 103.44 1bai n GLY 116 Ca 0.14 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1bai n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bai n LEU 117 N -1.84 1.06 0.00 0.99 4.77 -1.23 -4.98 117.00 115.78 1bai n LEU 117 Ca 0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1bai n LEU 117 Cb 0.41 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1bai n LEU 117 CO 0.39 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1bai n GLY 118 N 1.48 0.90 3.63 -0.72 0.00 -1.22 -5.02 105.19 104.25 1bai n GLY 118 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1bai n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bai n LEU 119 N 0.00 3.01 -3.69 0.99 4.32 -1.09 -5.00 117.00 115.54 1bai n LEU 119 Ca 0.00 1.05 -0.14 0.00 -0.02 0.00 0.00 56.01 56.89 1bai n LEU 119 Cb 0.00 -1.39 -0.09 0.00 -1.62 0.00 0.00 43.42 40.32 1bai n LEU 119 CO 0.00 -1.29 0.17 0.00 -1.22 0.00 0.00 177.39 175.06 1bai s ARG 120 N -2.09 0.68 0.13 3.23 1.70 -1.26 -4.76 118.95 116.57 1bai s ARG 120 Ca 0.63 0.37 -0.22 0.00 -0.47 0.00 0.00 55.73 56.04 1bai s ARG 120 Cb -0.54 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.08 1bai s ARG 120 CO 0.57 -0.14 0.68 -0.51 -1.08 0.00 0.00 175.30 174.81 1bai s LEU 121 N -0.41 4.55 0.10 -1.89 1.02 -1.26 -5.07 118.68 115.73 1bai s LEU 121 Ca -0.05 1.46 -0.25 0.00 0.02 0.00 0.00 54.13 55.31 1bai s LEU 121 Cb -0.03 -3.13 0.07 0.00 0.02 0.00 0.00 46.19 43.12 1bai s LEU 121 CO 0.03 0.23 0.61 0.28 0.02 0.00 0.00 176.35 177.52 1bai s THR 122 N -1.15 0.00 -0.00 5.49 -1.32 -1.26 -5.02 115.64 112.38 1bai s THR 122 Ca 0.33 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.81 1bai s THR 122 Cb -0.21 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.83 1bai s THR 122 CO 0.23 -0.02 1.02 -0.46 -2.21 0.00 0.00 174.62 173.18 1bai n ASN 123 N -0.03 0.16 -0.36 8.08 2.04 -1.26 -5.09 115.26 118.80 1bai n ASN 123 Ca -0.18 -2.03 0.05 0.00 -0.44 0.00 0.00 54.58 51.98 1bai n ASN 123 Cb 0.63 -0.22 0.04 0.00 -2.53 0.00 0.00 39.78 37.70 1bai n ASN 123 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82