#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 -2.41 -0.29 1.96 0.00 -1.26 -5.14 121.76 114.62 1bai s ALA 2 Ca 0.00 2.16 0.03 0.00 0.00 0.00 0.00 51.96 54.15 1bai s ALA 2 Cb 0.00 -1.83 0.18 0.00 0.00 0.00 0.00 23.12 21.47 1bai s ALA 2 CO 0.00 -0.59 0.53 1.41 0.00 0.00 0.00 175.76 177.11 1bai s MET 3 N 1.82 0.51 0.30 0.00 0.00 -1.26 -5.04 119.30 115.62 1bai s MET 3 Ca -0.07 0.53 -0.30 0.00 0.00 0.00 0.00 55.69 55.86 1bai s MET 3 Cb -0.05 0.11 -0.12 0.00 0.00 0.00 0.00 34.83 34.77 1bai s MET 3 CO -0.16 -0.93 1.44 2.41 0.00 0.00 0.00 175.02 177.78 1bai n THR 4 N 5.40 1.36 -2.44 10.11 -1.04 -1.26 -4.93 114.28 121.47 1bai n THR 4 Ca 0.02 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 1bai n THR 4 Cb 0.52 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.30 1bai n THR 4 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1bai s MET 5 N -1.01 4.31 -0.06 -2.82 -1.94 -1.26 -5.00 119.30 111.53 1bai s MET 5 Ca 0.62 1.68 0.04 0.00 -1.71 0.00 0.00 55.69 56.31 1bai s MET 5 Cb -0.56 -3.62 0.00 0.00 2.01 0.00 0.00 34.83 32.66 1bai s MET 5 CO 0.54 -0.53 -0.18 -2.00 -0.01 0.00 0.00 175.02 172.83 1bai s GLU 6 N 2.63 2.16 0.28 2.03 2.56 -1.26 -5.01 118.70 122.10 1bai s GLU 6 Ca 0.56 -0.66 -0.01 0.00 0.00 0.00 0.00 54.97 54.86 1bai s GLU 6 Cb -0.24 -1.77 0.41 0.00 2.00 0.00 0.00 34.13 34.53 1bai s GLU 6 CO 0.20 0.19 1.83 1.25 -0.56 0.00 0.00 175.26 178.17 1bai h HIS 7 N 6.53 0.84 0.07 5.30 -0.00 -2.03 -3.13 115.15 122.73 1bai h HIS 7 Ca -0.29 -0.08 -0.28 0.00 -0.00 0.00 0.00 60.37 59.73 1bai h HIS 7 Cb 1.19 -0.25 0.02 0.00 -0.00 0.00 0.00 27.41 28.38 1bai h HIS 7 CO 0.46 0.71 -1.15 1.57 -0.00 0.00 0.00 177.93 179.51 1bai h LYS 8 N 0.79 0.62 -5.10 5.26 -0.00 -2.01 -3.44 116.57 112.69 1bai h LYS 8 Ca 0.17 -0.76 -0.63 0.00 -0.00 0.00 0.00 60.65 59.44 1bai h LYS 8 Cb 0.29 0.24 -0.17 0.00 -0.00 0.00 0.00 32.23 32.58 1bai h LYS 8 CO -0.00 1.33 -0.55 0.16 -0.00 0.00 0.00 179.45 180.39 1bai s ASP 9 N -7.34 5.73 0.41 7.07 -4.77 -1.18 -5.07 116.67 111.51 1bai s ASP 9 Ca -0.09 0.02 -0.24 0.00 -3.30 0.00 0.00 52.55 48.93 1bai s ASP 9 Cb 0.06 -2.02 -0.08 0.00 -1.09 0.00 0.00 42.92 39.79 1bai s ASP 9 CO 0.92 0.06 1.11 -0.13 0.70 0.00 0.00 175.17 177.83 1bai s ARG 10 N 1.04 4.07 -0.54 2.11 0.52 -1.26 -4.24 118.95 120.66 1bai s ARG 10 Ca 0.06 1.67 -0.23 0.00 -0.52 0.00 0.00 55.73 56.71 1bai s ARG 10 Cb -0.14 -2.58 -0.21 0.00 0.52 0.00 0.00 34.95 32.54 1bai s ARG 10 CO 0.04 -0.26 1.82 -0.35 0.02 0.00 0.00 175.30 176.57 1bai n PRO 11 N -0.05 1.07 -3.40 3.54 -0.04 -1.26 -4.87 135.00 129.99 1bai n PRO 11 Ca 0.05 -1.55 -0.38 0.00 -0.04 0.00 0.00 63.50 61.58 1bai n PRO 11 Cb 0.48 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 1bai n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bai s LEU 12 N 0.75 4.40 0.16 1.53 2.96 -1.26 -0.03 118.68 127.19 1bai s LEU 12 Ca 0.58 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1bai s LEU 12 Cb 0.14 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1bai s LEU 12 CO 0.17 0.19 -0.04 0.68 -1.32 0.00 0.00 176.35 176.03 1bai s VAL 13 N -0.39 0.91 -0.09 1.68 -7.23 -0.31 -4.96 120.40 110.01 1bai s VAL 13 Ca 0.25 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.21 1bai s VAL 13 Cb -0.16 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1bai s VAL 13 CO 0.13 -0.60 0.57 -0.60 -0.31 0.00 0.00 175.10 174.29 1bai s ARG 14 N -3.84 4.37 -0.04 4.82 3.00 -1.25 -0.95 118.95 125.08 1bai s ARG 14 Ca 0.20 0.64 0.03 0.00 -1.00 0.00 0.00 55.73 55.60 1bai s ARG 14 Cb 0.05 -3.43 0.01 0.00 0.00 0.00 0.00 34.95 31.57 1bai s ARG 14 CO 0.02 0.14 -0.10 0.08 0.00 0.00 0.00 175.30 175.44 1bai s VAL 15 N 0.62 0.91 -0.19 7.11 1.01 -1.14 -1.49 120.40 127.24 1bai s VAL 15 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1bai s VAL 15 Cb -0.16 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1bai s VAL 15 CO 0.14 0.29 -0.12 -0.51 0.00 0.00 0.00 175.10 174.90 1bai s ILE 16 N 0.35 2.85 0.23 2.22 2.07 -0.35 -1.99 121.20 126.57 1bai s ILE 16 Ca -0.06 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 1bai s ILE 16 Cb -0.11 -2.25 -0.04 0.00 0.13 0.00 0.00 42.46 40.20 1bai s ILE 16 CO 0.01 0.48 0.38 -0.76 -1.91 0.00 0.00 174.94 173.15 1bai s LEU 17 N 1.17 4.24 -0.24 8.50 1.43 -1.23 -2.01 118.68 130.55 1bai s LEU 17 Ca 0.02 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1bai s LEU 17 Cb -0.14 -3.05 0.13 0.00 0.03 0.00 0.00 46.19 43.16 1bai s LEU 17 CO -0.04 -0.07 0.42 -0.89 0.23 0.00 0.00 176.35 176.00 1bai s THR 18 N -1.95 -0.68 -0.09 5.49 2.01 -0.80 -1.69 115.64 117.93 1bai s THR 18 Ca 0.37 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1bai s THR 18 Cb -0.10 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1bai s THR 18 CO 0.30 -0.07 1.21 0.21 -0.69 0.00 0.00 174.62 175.58 1bai s ASN 19 N 2.61 7.03 -0.18 3.53 3.84 -0.00 -1.07 114.94 130.69 1bai s ASN 19 Ca 0.11 1.76 0.16 0.00 0.21 0.00 0.00 52.86 55.11 1bai s ASN 19 Cb -0.15 -2.55 0.56 0.00 -0.55 0.00 0.00 41.25 38.56 1bai s ASN 19 CO -0.16 -0.63 1.45 0.35 -2.79 0.00 0.00 177.10 175.32 1bai n THR 20 N 4.83 2.33 -2.37 -5.21 -2.24 -1.07 -4.86 114.28 105.69 1bai n THR 20 Ca 0.12 -1.83 -0.42 0.00 -2.27 0.00 0.00 64.05 59.65 1bai n THR 20 Cb 0.46 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.82 2.34 -0.69 3.38 0.00 -1.26 -4.88 107.32 104.39 1bai s GLY 21 Ca 0.43 0.91 -0.26 0.00 0.00 0.00 0.00 44.72 45.80 1bai s GLY 21 CO 0.10 2.09 1.85 -1.35 0.00 0.00 0.00 173.10 175.78 1bai s SER 22 N 1.00 5.30 0.00 1.64 1.04 -1.26 -4.55 113.70 116.88 1bai s SER 22 Ca 0.59 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1bai s SER 22 Cb -0.31 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.27 1bai s SER 22 CO 0.30 -2.42 0.00 0.00 0.98 0.00 0.00 173.24 172.10 1bai n HIS 23 N 12.80 0.00 -1.80 5.02 1.44 -1.26 -5.16 115.22 126.27 1bai n HIS 23 Ca 0.24 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.62 1bai n HIS 23 Cb 0.51 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.66 1bai n HIS 23 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1bai s PRO 24 N -0.98 2.82 0.04 -1.40 0.04 -1.26 -5.04 135.00 129.21 1bai s PRO 24 Ca 0.00 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1bai s PRO 24 Cb 0.00 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1bai s PRO 24 CO 0.00 -1.25 0.32 0.14 0.04 0.00 0.00 177.00 176.25 1bai s VAL 25 N -2.21 0.08 0.22 -0.36 -7.23 -1.26 -5.02 120.40 104.61 1bai s VAL 25 Ca 0.69 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1bai s VAL 25 Cb -0.22 -0.92 0.17 0.00 0.56 0.00 0.00 36.38 35.97 1bai s VAL 25 CO 0.40 -0.35 1.82 0.11 -0.31 0.00 0.00 175.10 176.76 1bai h LYS 26 N 3.23 1.18 -3.63 4.82 1.57 -1.97 -3.42 116.57 118.35 1bai h LYS 26 Ca -0.32 -0.16 -0.47 0.00 -1.87 0.00 0.00 60.65 57.83 1bai h LYS 26 Cb 1.20 -0.22 -0.39 0.00 0.08 0.00 0.00 32.23 32.90 1bai h LYS 26 CO 0.45 0.90 -0.77 -1.14 -0.57 0.00 0.00 179.45 178.32 1bai s GLN 27 N -5.75 0.62 0.19 3.15 0.74 -1.26 -5.04 119.66 112.32 1bai s GLN 27 Ca -0.13 -0.10 0.07 0.00 0.05 0.00 0.00 55.36 55.25 1bai s GLN 27 Cb 0.16 -1.43 0.08 0.00 1.10 0.00 0.00 33.01 32.92 1bai s GLN 27 CO 0.82 -0.44 1.44 0.00 -0.55 0.00 0.00 175.29 176.57 1bai h ARG 28 N 8.30 0.07 -4.92 1.67 2.47 -1.89 -3.45 114.38 116.63 1bai h ARG 28 Ca -0.18 -0.07 -0.61 0.00 -1.26 0.00 0.00 59.98 57.85 1bai h ARG 28 Cb 1.12 0.02 -0.34 0.00 -1.65 0.00 0.00 29.97 29.13 1bai h ARG 28 CO 0.29 0.83 -0.85 -1.12 0.56 0.00 0.00 179.97 179.69 1bai s SER 29 N -6.84 2.60 0.09 7.04 0.01 -1.26 -0.82 113.70 114.52 1bai s SER 29 Ca -0.01 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1bai s SER 29 Cb 0.11 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1bai s SER 29 CO 0.80 0.06 0.02 1.33 0.41 0.00 0.00 173.24 175.87 1bai n VAL 30 N 3.97 0.00 -3.77 3.43 0.24 -0.68 -4.98 118.33 116.54 1bai n VAL 30 Ca -0.20 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 1bai n VAL 30 Cb 0.52 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.69 1bai n VAL 30 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1bai s TYR 31 N -1.06 -0.29 0.08 6.34 1.51 -1.26 -3.48 117.35 119.18 1bai s TYR 31 Ca 0.02 0.70 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1bai s TYR 31 Cb -0.00 0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.92 1bai s TYR 31 CO 0.01 -0.17 0.08 0.44 -1.11 0.00 0.00 175.55 174.80 1bai n ILE 32 N 3.42 0.00 -4.22 2.71 -5.35 -0.84 -5.04 119.36 110.04 1bai n ILE 32 Ca -0.17 -0.57 -0.17 0.00 -0.27 0.00 0.00 62.75 61.58 1bai n ILE 32 Cb 0.56 0.29 -0.14 0.00 -1.74 0.00 0.00 39.64 38.61 1bai n ILE 32 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1bai s THR 33 N -2.37 0.53 -0.10 7.28 2.01 -1.26 -2.87 115.64 118.86 1bai s THR 33 Ca 0.09 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1bai s THR 33 Cb 0.00 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.10 1bai s THR 33 CO 0.07 0.11 0.25 0.00 -0.69 0.00 0.00 174.62 174.35 1bai s ALA 34 N -0.25 -0.58 0.33 7.40 0.00 -0.12 -4.33 121.76 124.22 1bai s ALA 34 Ca 0.02 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 52.63 1bai s ALA 34 Cb -0.03 -0.57 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 1bai s ALA 34 CO -0.00 -0.18 1.06 -1.17 0.00 0.00 0.00 175.76 175.47 1bai s LEU 35 N 0.96 4.37 -0.76 0.00 2.96 -0.73 -1.17 118.68 124.30 1bai s LEU 35 Ca -0.07 2.13 -0.21 0.00 -0.22 0.00 0.00 54.13 55.76 1bai s LEU 35 Cb -0.08 -3.89 0.09 0.00 0.50 0.00 0.00 46.19 42.81 1bai s LEU 35 CO -0.06 -0.28 1.04 -0.76 -1.32 0.00 0.00 176.35 174.97 1bai s LEU 36 N -1.99 4.56 -0.48 -0.68 1.43 0.96 -1.16 118.68 121.31 1bai s LEU 36 Ca 0.50 -1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 1bai s LEU 36 Cb -0.27 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.58 1bai s LEU 36 CO 0.34 -1.33 0.55 -0.62 0.23 0.00 0.00 176.35 175.53 1bai s ASP 37 N 3.73 6.21 0.35 2.29 -1.08 -0.07 -4.89 116.67 123.22 1bai s ASP 37 Ca 0.27 -0.90 0.18 0.00 -0.52 0.00 0.00 52.55 51.58 1bai s ASP 37 Cb -0.12 -2.26 0.53 0.00 -1.46 0.00 0.00 42.92 39.60 1bai s ASP 37 CO 0.03 -0.79 1.66 0.71 0.52 0.00 0.00 175.17 177.30 1bai h THR 38 N 5.82 0.84 -0.26 1.71 1.35 -1.95 -1.22 112.91 119.21 1bai h THR 38 Ca -0.27 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1bai h THR 38 Cb 1.10 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1bai h THR 38 CO 0.91 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 177.19 1bai n GLY 39 N 0.51 0.62 3.27 5.82 0.00 -1.26 -4.71 105.19 109.45 1bai n GLY 39 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.64 3.39 0.17 4.61 0.00 -0.46 -4.95 121.76 122.87 1bai s ALA 40 Ca 0.18 -2.30 -0.15 0.00 0.00 0.00 0.00 51.96 49.70 1bai s ALA 40 Cb 0.11 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.52 1bai s ALA 40 CO 0.11 -1.77 1.76 -0.44 0.00 0.00 0.00 175.76 175.42 1bai h ASP 41 N 8.51 0.20 -2.34 0.00 3.32 -1.84 0.79 116.42 125.06 1bai h ASP 41 Ca -0.24 0.04 -0.55 0.00 0.02 0.00 0.00 57.03 56.31 1bai h ASP 41 Cb 1.09 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 1bai h ASP 41 CO 0.83 0.15 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.08 1bai s ASP 42 N -5.40 4.94 -0.24 6.45 1.01 -1.26 -3.23 116.67 118.94 1bai s ASP 42 Ca -0.13 -0.45 -0.12 0.00 0.71 0.00 0.00 52.55 52.56 1bai s ASP 42 Cb 0.13 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.93 1bai s ASP 42 CO 0.72 0.01 0.24 -0.89 0.21 0.00 0.00 175.17 175.45 1bai s THR 43 N -2.13 5.30 -0.05 -1.27 2.01 -1.26 -3.45 115.64 114.79 1bai s THR 43 Ca 0.31 0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 1bai s THR 43 Cb -0.08 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1bai s THR 43 CO 0.21 0.30 -0.01 0.54 -0.69 0.00 0.00 174.62 174.97 1bai s VAL 44 N 1.25 0.36 -0.18 3.82 0.11 -0.78 -3.19 120.40 121.79 1bai s VAL 44 Ca 0.11 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 1bai s VAL 44 Cb -0.14 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1bai s VAL 44 CO 0.06 0.21 0.31 -0.63 -3.33 0.00 0.00 175.10 171.73 1bai s ILE 45 N 1.37 5.28 0.69 7.04 -1.09 -0.75 -1.49 121.20 132.25 1bai s ILE 45 Ca -0.04 0.57 -0.17 0.00 -2.23 0.00 0.00 60.65 58.78 1bai s ILE 45 Cb -0.13 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1bai s ILE 45 CO -0.02 0.35 1.10 -1.54 -1.23 0.00 0.00 174.94 173.60 1bai n SER 46 N 3.87 1.10 0.24 3.58 3.41 -1.26 -3.36 113.62 121.20 1bai n SER 46 Ca -0.11 0.73 0.16 0.00 -0.26 0.00 0.00 58.87 59.38 1bai n SER 46 Cb 0.52 -1.47 0.62 0.00 -0.26 0.00 0.00 64.21 63.62 1bai n SER 46 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1bai h GLU 47 N 0.01 0.00 0.00 4.33 4.11 -1.21 -2.26 114.58 119.55 1bai h GLU 47 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1bai h GLU 47 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1bai h GLU 47 CO 0.49 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.72 1bai n GLU 48 N -2.86 0.61 0.00 1.06 0.28 -1.26 -3.18 120.64 115.30 1bai n GLU 48 Ca 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1bai n GLU 48 Cb 0.30 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1bai n GLU 48 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1bai n ASP 49 N -1.18 0.73 -4.71 -1.84 9.92 -0.90 -5.03 116.55 113.55 1bai n ASP 49 Ca 0.17 -0.36 -0.41 0.00 -0.53 0.00 0.00 54.79 53.66 1bai n ASP 49 Cb 0.18 0.88 -0.04 0.00 -0.64 0.00 0.00 41.12 41.50 1bai n ASP 49 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1bai s TRP 50 N -1.02 3.59 -0.01 1.24 -0.11 -0.91 -5.00 118.94 116.71 1bai s TRP 50 Ca 0.00 1.42 -0.30 0.00 1.22 0.00 0.00 56.10 58.44 1bai s TRP 50 Cb 0.00 -2.95 -0.05 0.00 -1.50 0.00 0.00 33.47 28.97 1bai s TRP 50 CO 0.00 0.02 1.36 -2.14 -4.62 0.00 0.00 176.95 171.56 1bai s PRO 51 N 1.02 4.30 0.10 5.86 0.02 -1.26 -4.88 135.00 140.16 1bai s PRO 51 Ca 0.43 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.38 1bai s PRO 51 Cb -0.19 -3.57 0.14 0.00 0.02 0.00 0.00 34.50 30.90 1bai s PRO 51 CO 0.21 -0.55 0.81 0.25 -0.33 0.00 0.00 177.00 177.39 1bai n THR 52 N 4.67 0.62 0.21 0.99 -2.24 -1.26 0.52 114.28 117.78 1bai n THR 52 Ca 0.13 0.58 0.06 0.00 -2.27 0.00 0.00 64.05 62.55 1bai n THR 52 Cb 0.44 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.00 1bai n THR 52 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bai n ASP 53 N -1.42 1.53 -4.63 3.42 5.75 -1.26 -4.92 116.55 115.02 1bai n ASP 53 Ca -0.00 -0.29 -0.43 0.00 -0.01 0.00 0.00 54.79 54.06 1bai n ASP 53 Cb 0.37 1.38 -0.02 0.00 -1.03 0.00 0.00 41.12 41.81 1bai n ASP 53 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1bai s TRP 54 N -2.64 2.37 0.99 2.11 0.52 0.18 -4.97 118.94 117.51 1bai s TRP 54 Ca -0.01 0.70 -0.12 0.00 0.02 0.00 0.00 56.10 56.68 1bai s TRP 54 Cb 0.09 -3.99 0.12 0.00 -1.15 0.00 0.00 33.47 28.54 1bai s TRP 54 CO 0.53 -2.32 0.72 -0.35 0.02 0.00 0.00 176.95 175.54 1bai n PRO 55 N 7.58 -0.84 -3.76 4.98 -0.04 -1.26 -4.90 135.00 136.76 1bai n PRO 55 Ca 0.17 -0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1bai n PRO 55 Cb 0.46 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 1bai n PRO 55 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bai s VAL 56 N -2.47 0.09 0.00 0.52 1.01 -1.26 -2.51 120.40 115.79 1bai s VAL 56 Ca 0.62 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1bai s VAL 56 Cb -0.21 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1bai s VAL 56 CO 0.64 -0.41 0.00 1.15 0.00 0.00 0.00 175.10 176.47 1bai n MET 57 N 0.40 0.57 -2.77 2.72 0.00 0.25 -4.84 117.12 113.44 1bai n MET 57 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.12 1bai n MET 57 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.78 1bai n MET 57 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1bai s GLU 58 N -0.86 4.69 0.00 3.17 2.02 -1.26 -1.68 118.70 124.78 1bai s GLU 58 Ca 0.00 1.40 0.11 0.00 0.02 0.00 0.00 54.97 56.50 1bai s GLU 58 Cb 0.00 -3.36 0.51 0.00 0.10 0.00 0.00 34.13 31.38 1bai s GLU 58 CO 0.00 0.28 1.35 0.00 0.02 0.00 0.00 175.26 176.91 1bai n ALA 59 N 2.56 2.52 0.00 5.21 0.00 -1.26 -4.63 120.51 124.91 1bai n ALA 59 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1bai n ALA 59 Cb 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.19 0.00 -3.62 0.00 0.00 -1.26 -4.86 120.51 110.58 1bai n ALA 60 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 1bai n ALA 60 Cb 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.13 0.86 0.56 0.00 3.04 -1.26 -5.05 114.94 112.97 1bai s ASN 61 Ca 0.00 0.23 0.37 0.00 0.04 0.00 0.00 52.86 53.50 1bai s ASN 61 Cb 0.00 0.40 1.49 0.00 -1.54 0.00 0.00 41.25 41.60 1bai s ASN 61 CO 0.00 -0.27 1.69 1.55 -3.04 0.00 0.00 177.10 177.03 1bai h PRO 62 N 8.33 0.00 -3.86 0.43 0.13 -1.89 -3.45 132.00 131.69 1bai h PRO 62 Ca -0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.87 1bai h PRO 62 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1bai h PRO 62 CO 0.18 0.00 -0.20 1.14 -0.23 0.00 0.00 178.00 178.89 1bai s GLN 63 N -4.80 1.56 0.04 0.86 -2.07 -1.26 -1.76 119.66 112.23 1bai s GLN 63 Ca -0.05 -1.39 0.07 0.00 -1.82 0.00 0.00 55.36 52.17 1bai s GLN 63 Cb 0.21 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.54 1bai s GLN 63 CO 0.74 -0.63 -0.17 0.96 -1.32 0.00 0.00 175.29 174.86 1bai s ILE 64 N -3.87 2.85 0.21 3.63 -4.36 0.83 -4.82 121.20 115.67 1bai s ILE 64 Ca 0.26 -1.18 0.11 0.00 -0.26 0.00 0.00 60.65 59.59 1bai s ILE 64 Cb 0.01 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1bai s ILE 64 CO 0.11 0.33 -0.19 -1.38 0.24 0.00 0.00 174.94 174.05 1bai s HIS 65 N -0.94 2.40 0.00 1.37 -3.43 -1.26 0.79 115.29 114.22 1bai s HIS 65 Ca 0.15 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1bai s HIS 65 Cb -0.11 -1.15 0.00 0.00 -1.43 0.00 0.00 32.58 29.89 1bai s HIS 65 CO 0.06 0.54 0.00 0.41 -2.00 0.00 0.00 174.74 173.75 1bai n GLY 66 N 0.01 4.63 0.29 -1.38 0.00 0.26 -4.92 105.19 104.08 1bai n GLY 66 Ca -0.11 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1bai n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bai h ILE 67 N 0.00 0.08 0.00 -0.61 1.08 -2.02 -3.27 117.51 112.77 1bai h ILE 67 Ca 0.00 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1bai h ILE 67 Cb 0.00 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 1bai h ILE 67 CO 0.00 0.02 -0.23 1.23 -0.69 0.00 0.00 178.15 178.47 1bai h GLY 68 N -1.15 0.00 0.00 5.37 0.00 -2.02 -3.49 103.07 101.78 1bai h GLY 68 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bai h GLY 68 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.26 1bai n GLY 69 N 0.08 0.34 3.89 4.60 0.00 -1.23 -5.10 105.19 107.76 1bai n GLY 69 Ca -0.00 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 2.25 -0.02 -0.02 0.00 -1.26 0.92 107.32 109.19 1bai s GLY 70 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.30 1bai s GLY 70 CO 0.00 -0.35 -0.10 -0.42 0.00 0.00 0.00 173.10 172.24 1bai s ILE 71 N -1.72 0.83 0.34 0.90 1.01 0.24 -4.93 121.20 117.88 1bai s ILE 71 Ca 0.44 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 1bai s ILE 71 Cb -0.12 -0.73 -0.11 0.00 0.01 0.00 0.00 42.46 41.51 1bai s ILE 71 CO 0.23 0.25 1.51 -2.84 0.00 0.00 0.00 174.94 174.09 1bai s PRO 72 N 0.08 4.13 -0.05 2.79 0.02 -1.26 -0.12 135.00 140.59 1bai s PRO 72 Ca -0.01 2.54 0.02 0.00 0.02 0.00 0.00 61.00 63.57 1bai s PRO 72 Cb -0.08 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.46 1bai s PRO 72 CO 0.00 -0.54 -0.09 0.54 -0.33 0.00 0.00 177.00 176.58 1bai s VAL 73 N -0.76 0.87 0.38 3.83 0.11 -0.72 -4.47 120.40 119.65 1bai s VAL 73 Ca 0.56 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 1bai s VAL 73 Cb -0.46 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1bai s VAL 73 CO 0.57 0.29 0.12 -0.13 -3.33 0.00 0.00 175.10 172.62 1bai s ARG 74 N 0.59 2.19 0.21 1.54 1.81 -0.65 -4.24 118.95 120.40 1bai s ARG 74 Ca -0.10 -1.80 0.11 0.00 -1.72 0.00 0.00 55.73 52.22 1bai s ARG 74 Cb -0.13 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1bai s ARG 74 CO 0.02 -0.01 -0.20 0.21 -0.68 0.00 0.00 175.30 174.64 1bai s LYS 75 N -3.83 1.68 0.35 3.54 2.20 -0.68 -1.64 119.74 121.36 1bai s LYS 75 Ca 0.39 -1.51 -0.28 0.00 -0.36 0.00 0.00 55.97 54.21 1bai s LYS 75 Cb 0.02 -1.91 -0.09 0.00 -1.51 0.00 0.00 37.83 34.34 1bai s LYS 75 CO 0.21 0.39 1.23 0.45 -0.36 0.00 0.00 175.35 177.28 1bai s SER 76 N -2.88 6.74 -0.08 1.43 0.15 0.17 -0.59 113.70 118.65 1bai s SER 76 Ca 0.23 2.52 0.20 0.00 0.70 0.00 0.00 55.95 59.60 1bai s SER 76 Cb -0.08 -2.63 -0.26 0.00 -1.71 0.00 0.00 66.02 61.34 1bai s SER 76 CO 0.12 -0.54 0.38 -1.14 1.20 0.00 0.00 173.24 173.27 1bai n ARG 77 N 0.60 0.66 -3.75 5.44 0.63 -1.04 -4.72 116.66 114.48 1bai n ARG 77 Ca 0.01 -0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 56.70 1bai n ARG 77 Cb 0.44 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 31.75 1bai n ARG 77 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1bai s ASP 78 N -5.14 5.77 -0.11 6.15 1.01 -1.26 -5.02 116.67 118.06 1bai s ASP 78 Ca -0.08 -0.24 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 1bai s ASP 78 Cb 0.10 -1.29 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 1bai s ASP 78 CO 0.86 -0.29 0.65 -0.32 0.21 0.00 0.00 175.17 176.28 1bai s MET 79 N -4.04 4.37 -0.02 8.23 1.75 -1.26 -4.69 119.30 123.64 1bai s MET 79 Ca 0.40 0.75 -0.03 0.00 -1.25 0.00 0.00 55.69 55.57 1bai s MET 79 Cb -0.08 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.07 1bai s MET 79 CO 0.28 0.00 0.17 0.42 -0.65 0.00 0.00 175.02 175.25 1bai s ILE 80 N 1.06 5.37 -0.28 10.11 1.09 -0.35 -2.60 121.20 135.61 1bai s ILE 80 Ca 0.34 -0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.64 1bai s ILE 80 Cb -0.17 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.71 1bai s ILE 80 CO 0.15 0.35 0.12 -0.70 -0.10 0.00 0.00 174.94 174.76 1bai s GLU 81 N -1.85 3.61 -0.26 2.79 2.12 -0.24 -1.98 118.70 122.90 1bai s GLU 81 Ca 0.26 -0.52 -0.12 0.00 0.36 0.00 0.00 54.97 54.95 1bai s GLU 81 Cb -0.13 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1bai s GLU 81 CO 0.17 -0.26 0.23 -1.17 -0.54 0.00 0.00 175.26 173.69 1bai s LEU 82 N 1.65 4.06 -0.10 2.70 0.20 0.11 -1.90 118.68 125.39 1bai s LEU 82 Ca 0.06 0.11 0.01 0.00 0.69 0.00 0.00 54.13 55.00 1bai s LEU 82 Cb -0.16 -2.20 0.02 0.00 -0.43 0.00 0.00 46.19 43.42 1bai s LEU 82 CO 0.06 -0.05 -0.12 -0.83 -0.29 0.00 0.00 176.35 175.13 1bai s GLY 83 N 1.51 0.90 -0.07 7.98 0.00 -0.85 -2.11 107.32 114.68 1bai s GLY 83 Ca 0.09 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1bai s GLY 83 CO 0.09 0.41 0.31 0.14 0.00 0.00 0.00 173.10 174.04 1bai s VAL 84 N 1.16 5.23 -0.21 1.40 1.01 -1.26 -1.21 120.40 126.51 1bai s VAL 84 Ca -0.04 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1bai s VAL 84 Cb -0.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1bai s VAL 84 CO -0.03 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 174.96 1bai s ILE 85 N -0.77 3.52 0.62 2.22 1.01 -0.55 0.05 121.20 127.29 1bai s ILE 85 Ca 0.20 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 1bai s ILE 85 Cb -0.15 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1bai s ILE 85 CO 0.09 0.42 1.04 0.20 0.00 0.00 0.00 174.94 176.69 1bai s ASN 86 N 1.34 5.83 0.25 3.58 0.01 0.39 -3.76 114.94 122.59 1bai s ASN 86 Ca 0.04 1.64 -0.08 0.00 -0.71 0.00 0.00 52.86 53.76 1bai s ASN 86 Cb -0.14 -2.50 0.44 0.00 0.41 0.00 0.00 41.25 39.45 1bai s ASN 86 CO -0.01 -1.13 1.61 0.03 -1.51 0.00 0.00 177.10 176.08 1bai h ARG 87 N -0.04 0.04 0.00 -0.60 2.47 -1.94 -2.23 114.38 112.08 1bai h ARG 87 Ca -0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1bai h ARG 87 Cb 1.21 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1bai h ARG 87 CO 0.59 0.03 0.00 -0.40 0.56 0.00 0.00 179.97 180.74 1bai n ASP 88 N -5.45 0.00 0.00 7.04 5.75 -1.26 -4.92 116.55 117.71 1bai n ASP 88 Ca 0.14 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 1bai n ASP 88 Cb 0.48 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1bai n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bai n GLY 89 N -0.19 3.11 2.61 6.12 0.00 -0.84 -5.11 105.19 110.88 1bai n GLY 89 Ca 0.03 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1bai n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bai n SER 90 N 0.00 -4.85 -4.33 1.61 3.41 -1.26 -4.40 113.62 103.81 1bai n SER 90 Ca 0.00 0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.50 1bai n SER 90 Cb 0.00 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 1bai n SER 90 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1bai s LEU 91 N 6.42 2.63 0.85 1.04 0.20 -1.26 -0.46 118.68 128.10 1bai s LEU 91 Ca 0.37 -0.38 -0.12 0.00 0.69 0.00 0.00 54.13 54.69 1bai s LEU 91 Cb -0.20 -1.60 0.10 0.00 -0.43 0.00 0.00 46.19 44.06 1bai s LEU 91 CO 0.69 0.13 1.11 -1.61 -0.29 0.00 0.00 176.35 176.38 1bai s GLU 92 N 0.57 1.66 0.20 1.98 0.41 0.11 -4.97 118.70 118.66 1bai s GLU 92 Ca -0.08 0.50 -0.31 0.00 -0.41 0.00 0.00 54.97 54.66 1bai s GLU 92 Cb -0.16 -1.88 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 1bai s GLU 92 CO 0.03 -1.88 1.50 -0.98 -0.49 0.00 0.00 175.26 173.44 1bai s ARG 93 N -5.20 4.24 0.16 1.61 1.04 -1.26 -4.40 118.95 115.13 1bai s ARG 93 Ca 0.62 2.32 -0.31 0.00 -1.04 0.00 0.00 55.73 57.32 1bai s ARG 93 Cb -0.15 -3.14 -0.10 0.00 -2.04 0.00 0.00 34.95 29.53 1bai s ARG 93 CO 0.54 -0.51 1.62 -2.14 -0.04 0.00 0.00 175.30 174.77 1bai s PRO 94 N 0.42 4.19 0.06 3.89 0.02 -1.26 -4.69 135.00 137.62 1bai s PRO 94 Ca 0.65 2.42 0.06 0.00 0.02 0.00 0.00 61.00 64.14 1bai s PRO 94 Cb -0.43 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 30.84 1bai s PRO 94 CO 0.37 -0.67 -0.17 -0.48 -0.33 0.00 0.00 177.00 175.72 1bai s LEU 95 N 1.47 2.21 0.06 -5.54 2.34 -0.90 -5.00 118.68 113.33 1bai s LEU 95 Ca 0.72 -0.55 0.05 0.00 0.06 0.00 0.00 54.13 54.41 1bai s LEU 95 Cb -0.44 -0.75 -0.04 0.00 -0.56 0.00 0.00 46.19 44.40 1bai s LEU 95 CO 0.32 0.06 -0.06 -0.76 -1.06 0.00 0.00 176.35 174.85 1bai s LEU 96 N -1.40 3.23 0.12 1.48 1.02 -1.26 0.08 118.68 121.95 1bai s LEU 96 Ca 0.04 -0.23 -0.24 0.00 0.02 0.00 0.00 54.13 53.71 1bai s LEU 96 Cb -0.09 -1.94 0.08 0.00 0.02 0.00 0.00 46.19 44.26 1bai s LEU 96 CO 0.02 0.22 1.10 -1.48 0.02 0.00 0.00 176.35 176.23 1bai s LEU 97 N -1.94 -0.02 -0.41 1.79 2.34 -0.84 -4.97 118.68 114.64 1bai s LEU 97 Ca 0.21 -0.51 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1bai s LEU 97 Cb -0.11 1.87 0.11 0.00 -0.56 0.00 0.00 46.19 47.50 1bai s LEU 97 CO 0.13 -0.78 0.15 -0.36 -1.06 0.00 0.00 176.35 174.43 1bai s PHE 98 N -2.25 3.59 0.82 3.48 0.40 -1.26 -1.21 117.98 121.56 1bai s PHE 98 Ca 0.22 -2.91 -0.11 0.00 -0.60 0.00 0.00 56.93 53.53 1bai s PHE 98 Cb -0.01 -2.98 0.09 0.00 0.51 0.00 0.00 43.02 40.62 1bai s PHE 98 CO 0.03 -0.91 1.09 -1.25 0.70 0.00 0.00 175.22 174.89 1bai s PRO 99 N 0.64 1.86 0.14 0.24 0.04 -1.26 -4.63 135.00 132.02 1bai s PRO 99 Ca 0.12 0.83 -0.05 0.00 0.04 0.00 0.00 61.00 61.94 1bai s PRO 99 Cb -0.21 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1bai s PRO 99 CO -0.05 -1.83 0.38 -0.51 0.04 0.00 0.00 177.00 175.02 1bai s LEU 100 N -5.96 4.27 -0.00 -3.56 1.43 -1.19 0.45 118.68 114.12 1bai s LEU 100 Ca 0.62 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1bai s LEU 100 Cb -0.16 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1bai s LEU 100 CO 0.56 0.06 -0.00 0.68 0.23 0.00 0.00 176.35 177.88 1bai s VAL 101 N -1.63 0.06 0.10 -1.59 -7.23 -0.65 -1.81 120.40 107.64 1bai s VAL 101 Ca 0.40 -0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.30 1bai s VAL 101 Cb -0.12 -0.08 0.08 0.00 0.56 0.00 0.00 36.38 36.82 1bai s VAL 101 CO 0.24 0.03 1.07 0.00 -0.31 0.00 0.00 175.10 176.13 1bai s ALA 102 N 0.16 -1.85 -1.32 1.32 0.00 -1.21 -1.63 121.76 117.22 1bai s ALA 102 Ca -0.01 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 1bai s ALA 102 Cb -0.02 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1bai s ALA 102 CO -0.00 -1.05 2.27 -0.12 0.00 0.00 0.00 175.76 176.86 1bai n MET 103 N -0.48 2.67 -2.97 0.00 0.00 -1.26 -0.75 117.12 114.32 1bai n MET 103 Ca -0.07 -2.33 -0.36 0.00 -0.00 0.00 0.00 57.70 54.94 1bai n MET 103 Cb 0.61 -3.10 -0.06 0.00 0.00 0.00 0.00 33.22 30.67 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 3.41 4.43 -0.48 1.12 2.01 -1.26 -4.95 115.64 119.91 1bai s THR 104 Ca 0.52 1.50 0.25 0.00 0.31 0.00 0.00 61.69 64.27 1bai s THR 104 Cb 0.14 -3.92 0.28 0.00 0.01 0.00 0.00 72.50 69.02 1bai s THR 104 CO -0.04 0.18 1.76 1.55 -0.69 0.00 0.00 174.62 177.38 1bai h PRO 105 N 3.32 0.00 -3.85 4.92 0.13 -2.00 -3.43 132.00 131.09 1bai h PRO 105 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1bai h PRO 105 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1bai h PRO 105 CO 0.65 0.00 -0.47 0.08 -0.23 0.00 0.00 178.00 178.03 1bai s VAL 106 N -3.29 0.15 -0.07 1.56 1.01 -1.26 -5.05 120.40 113.45 1bai s VAL 106 Ca 0.06 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1bai s VAL 106 Cb 0.10 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1bai s VAL 106 CO 0.48 -0.68 0.51 0.20 0.00 0.00 0.00 175.10 175.62 1bai s ASN 107 N -2.55 6.80 -0.03 3.32 -0.87 -1.26 -4.21 114.94 116.14 1bai s ASN 107 Ca 0.01 0.95 0.05 0.00 -1.57 0.00 0.00 52.86 52.30 1bai s ASN 107 Cb 0.03 -2.31 -0.01 0.00 -0.02 0.00 0.00 41.25 38.94 1bai s ASN 107 CO -0.08 0.07 -0.19 0.27 -2.57 0.00 0.00 177.10 174.60 1bai s ILE 108 N 0.16 1.55 -0.36 0.60 -4.36 -0.55 -1.78 121.20 116.46 1bai s ILE 108 Ca 0.28 -0.81 -0.13 0.00 -0.26 0.00 0.00 60.65 59.73 1bai s ILE 108 Cb -0.16 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.24 1bai s ILE 108 CO 0.13 0.44 0.24 -0.76 0.24 0.00 0.00 174.94 175.23 1bai s LEU 109 N -0.21 4.65 0.00 0.37 1.43 -0.31 -1.86 118.68 122.75 1bai s LEU 109 Ca 0.01 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1bai s LEU 109 Cb -0.10 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.16 1bai s LEU 109 CO 0.01 -0.31 0.92 0.61 0.23 0.00 0.00 176.35 177.81 1bai n GLY 110 N 5.09 -0.52 0.21 -3.19 0.00 -1.22 -0.89 105.19 104.66 1bai n GLY 110 Ca -0.12 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.17 1bai n GLY 110 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bai h ARG 111 N 0.00 0.00 -0.12 1.61 3.08 0.63 -0.61 114.38 118.96 1bai h ARG 111 Ca -0.30 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.60 1bai h ARG 111 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.98 1bai h ARG 111 CO 0.25 0.00 -0.50 0.38 -1.07 0.00 0.00 179.97 179.03 1bai h ASP 112 N 0.00 0.65 -0.01 7.04 2.03 -1.79 -2.25 116.42 122.09 1bai h ASP 112 Ca 0.00 -0.62 -0.04 0.00 -0.73 0.00 0.00 57.03 55.64 1bai h ASP 112 Cb 0.42 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1bai h ASP 112 CO 0.00 1.17 -0.14 0.00 -1.03 0.00 0.00 179.24 179.23 1bai h LEU 114 N -0.55 0.08 -0.74 0.00 4.07 -1.34 0.19 115.31 117.02 1bai h LEU 114 Ca -0.01 0.17 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1bai h LEU 114 Cb 0.87 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1bai h LEU 114 CO 0.03 -0.09 0.29 -0.61 -1.08 0.00 0.00 178.44 176.98 1bai h GLN 115 N 0.27 1.12 -0.54 1.13 4.15 -1.42 -1.52 115.11 118.30 1bai h GLN 115 Ca 0.52 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 1bai h GLN 115 Cb 0.99 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1bai h GLN 115 CO -0.59 0.92 0.04 0.78 -1.93 0.00 0.00 178.83 178.05 1bai h GLY 116 N 1.08 0.96 1.78 2.39 0.00 -0.41 -2.36 103.07 106.50 1bai h GLY 116 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1bai h GLY 116 CO -0.02 0.59 0.00 1.04 0.00 0.00 0.00 176.54 178.15 1bai n LEU 117 N -4.22 0.00 -0.64 3.11 4.77 -0.55 -4.89 117.00 114.59 1bai n LEU 117 Ca 0.03 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1bai n LEU 117 Cb 0.29 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1bai n LEU 117 CO 0.42 -0.14 0.01 0.61 -1.33 0.00 0.00 177.39 176.95 1bai n GLY 118 N 0.38 0.61 3.68 -0.72 0.00 -0.89 -4.94 105.19 103.32 1bai n GLY 118 Ca 0.07 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1bai n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bai s LEU 119 N -1.34 4.19 -0.07 0.99 1.02 -0.59 -5.03 118.68 117.85 1bai s LEU 119 Ca 0.04 0.74 0.04 0.00 0.02 0.00 0.00 54.13 54.97 1bai s LEU 119 Cb -0.02 -2.71 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 1bai s LEU 119 CO 0.05 -0.12 -0.19 0.00 0.02 0.00 0.00 176.35 176.12 1bai s ARG 120 N 1.27 2.73 -0.16 1.70 1.70 -1.26 -4.71 118.95 120.22 1bai s ARG 120 Ca 0.25 -0.79 -0.17 0.00 -0.47 0.00 0.00 55.73 54.56 1bai s ARG 120 Cb -0.15 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 1bai s ARG 120 CO 0.10 0.42 0.42 -1.17 -1.08 0.00 0.00 175.30 173.99 1bai s LEU 121 N -0.22 4.21 0.02 -1.89 2.96 -1.26 -5.06 118.68 117.45 1bai s LEU 121 Ca -0.01 0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 54.41 1bai s LEU 121 Cb -0.13 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.00 1bai s LEU 121 CO 0.03 -0.03 0.30 0.28 -1.32 0.00 0.00 176.35 175.61 1bai s THR 122 N 0.95 0.08 -0.23 3.68 -1.32 -1.26 -5.02 115.64 112.51 1bai s THR 122 Ca 0.22 -0.63 0.02 0.00 -1.21 0.00 0.00 61.69 60.09 1bai s THR 122 Cb -0.15 -0.83 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 1bai s THR 122 CO 0.08 -0.35 0.69 -0.46 -2.21 0.00 0.00 174.62 172.37 1bai n ASN 123 N 0.82 1.42 0.00 8.08 6.94 -1.26 -5.06 115.26 126.20 1bai n ASN 123 Ca -0.20 -1.31 0.12 0.00 -0.02 0.00 0.00 54.58 53.17 1bai n ASN 123 Cb 0.58 -0.01 0.69 0.00 -2.36 0.00 0.00 39.78 38.68 1bai n ASN 123 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41