#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c45 s LEU 2 N 0.00 3.40 0.05 3.17 1.43 -1.26 -0.45 118.68 125.02 2c45 s LEU 2 Ca 0.00 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2c45 s LEU 2 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2c45 s LEU 2 CO 0.00 -0.14 0.07 -0.13 0.23 0.00 0.00 176.35 176.37 2c45 s ARG 3 N 1.39 2.89 -0.13 1.70 0.52 -0.36 -4.83 118.95 120.13 2c45 s ARG 3 Ca 0.01 -0.65 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 2c45 s ARG 3 Cb -0.17 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2c45 s ARG 3 CO -0.02 0.59 0.25 -0.08 0.02 0.00 0.00 175.30 176.06 2c45 s THR 4 N -1.31 5.32 0.05 0.02 -1.32 -1.26 0.18 115.64 117.32 2c45 s THR 4 Ca 0.27 0.46 -0.09 0.00 -1.21 0.00 0.00 61.69 61.12 2c45 s THR 4 Cb -0.12 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2c45 s THR 4 CO 0.19 0.49 0.19 -0.04 -2.21 0.00 0.00 174.62 173.24 2c45 s MET 5 N -0.19 0.73 -0.32 7.08 1.00 -0.18 -4.88 119.30 122.54 2c45 s MET 5 Ca 0.16 -0.72 -0.28 0.00 0.00 0.00 0.00 55.69 54.85 2c45 s MET 5 Cb -0.13 0.30 -0.06 0.00 0.00 0.00 0.00 34.83 34.94 2c45 s MET 5 CO 0.05 -0.22 2.29 -0.11 0.00 0.00 0.00 175.02 177.03 2c45 n LEU 6 N 0.49 2.86 -0.06 -0.03 7.94 -1.26 -1.36 117.00 125.56 2c45 n LEU 6 Ca -0.18 0.01 -0.18 0.00 -1.11 0.00 0.00 56.01 54.56 2c45 n LEU 6 Cb 0.60 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.88 2c45 n LEU 6 CO 0.22 -0.95 -1.05 1.17 -1.11 0.00 0.00 177.39 175.68 2c45 n LYS 7 N 8.79 0.70 -3.66 1.96 4.81 -0.47 -4.61 118.16 125.67 2c45 n LYS 7 Ca 0.33 0.19 -0.11 0.00 -0.87 0.00 0.00 58.31 57.85 2c45 n LYS 7 Cb 0.45 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 33.83 2c45 n LYS 7 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2c45 s SER 8 N -6.58 -0.22 -0.29 3.14 1.04 -0.45 -1.69 113.70 108.65 2c45 s SER 8 Ca -0.25 -0.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.83 2c45 s SER 8 Cb 0.08 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.76 2c45 s SER 8 CO 0.71 -0.77 0.75 -0.75 0.98 0.00 0.00 173.24 174.16 2c45 s LYS 9 N -3.28 0.55 -0.55 4.02 2.20 -0.96 -1.17 119.74 120.55 2c45 s LYS 9 Ca -0.00 1.20 -0.19 0.00 -0.36 0.00 0.00 55.97 56.62 2c45 s LYS 9 Cb 0.01 0.53 0.08 0.00 -1.51 0.00 0.00 37.83 36.94 2c45 s LYS 9 CO -0.08 -0.16 0.66 0.42 -0.36 0.00 0.00 175.35 175.83 2c45 s ILE 10 N 2.34 4.85 -0.36 5.43 1.01 -0.93 -0.53 121.20 133.01 2c45 s ILE 10 Ca -0.07 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2c45 s ILE 10 Cb -0.08 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 38.02 2c45 s ILE 10 CO -0.19 -0.96 1.02 -2.28 0.00 0.00 0.00 174.94 172.54 2c45 s HIS 11 N 2.64 3.08 -0.74 3.97 2.46 0.80 -2.61 115.29 124.88 2c45 s HIS 11 Ca 0.13 0.97 -0.04 0.00 0.47 0.00 0.00 55.06 56.59 2c45 s HIS 11 Cb -0.22 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.47 2c45 s HIS 11 CO 0.09 -0.85 0.65 0.54 -2.47 0.00 0.00 174.74 172.70 2c45 n ARG 12 N 6.95 -4.36 -2.48 2.88 1.74 -1.20 -3.10 116.66 117.10 2c45 n ARG 12 Ca 0.10 0.46 -0.33 0.00 -0.77 0.00 0.00 57.85 57.31 2c45 n ARG 12 Cb 0.48 -4.38 -0.04 0.00 -1.02 0.00 0.00 32.46 27.50 2c45 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c45 s ALA 13 N -3.18 2.96 -0.16 7.54 0.00 -1.03 -4.79 121.76 123.09 2c45 s ALA 13 Ca 0.29 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 2c45 s ALA 13 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2c45 s ALA 13 CO 0.41 -0.26 0.15 0.99 0.00 0.00 0.00 175.76 177.05 2c45 s THR 14 N -2.33 5.43 -0.51 0.00 2.01 -1.26 -1.54 115.64 117.44 2c45 s THR 14 Ca 0.62 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.60 2c45 s THR 14 Cb -0.12 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2c45 s THR 14 CO 0.25 0.51 1.95 -0.69 -0.69 0.00 0.00 174.62 175.95 2c45 s VAL 15 N -0.23 3.32 0.00 3.82 1.01 -0.28 -4.69 120.40 123.36 2c45 s VAL 15 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2c45 s VAL 15 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2c45 s VAL 15 CO 0.01 -0.60 0.87 0.41 0.00 0.00 0.00 175.10 175.79 2c45 n THR 16 N 7.41 0.00 -4.08 3.92 -1.04 -0.30 -1.44 114.28 118.76 2c45 n THR 16 Ca 0.24 1.37 -0.04 0.00 -2.04 0.00 0.00 64.05 63.58 2c45 n THR 16 Cb 0.51 -2.25 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 2c45 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c45 s ALA 18 N -2.12 -2.53 -0.05 0.00 0.00 -1.26 -3.61 121.76 112.18 2c45 s ALA 18 Ca 0.01 2.05 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 2c45 s ALA 18 Cb 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.26 2c45 s ALA 18 CO 0.01 -0.32 0.09 0.34 0.00 0.00 0.00 175.76 175.88 2c45 s ASP 19 N 1.12 1.00 0.13 0.00 2.15 -1.04 -4.99 116.67 115.05 2c45 s ASP 19 Ca -0.08 0.17 -0.16 0.00 0.43 0.00 0.00 52.55 52.90 2c45 s ASP 19 Cb -0.03 0.00 -0.01 0.00 -0.30 0.00 0.00 42.92 42.59 2c45 s ASP 19 CO -0.11 -0.25 1.70 0.25 -0.17 0.00 0.00 175.17 176.59 2c45 h LEU 20 N 8.41 0.50-10.26 -1.34 5.85 -1.93 0.90 115.31 117.45 2c45 h LEU 20 Ca -0.13 -0.14 -0.49 0.00 0.84 0.00 0.00 57.88 57.97 2c45 h LEU 20 Cb 1.12 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 42.04 2c45 h LEU 20 CO 0.15 0.50 0.05 -1.00 -0.34 0.00 0.00 178.44 177.80 2c45 s HIS 21 N -5.67 3.54 0.30 1.25 3.76 -1.26 -3.24 115.29 113.97 2c45 s HIS 21 Ca -0.13 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 2c45 s HIS 21 Cb 0.10 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.54 2c45 s HIS 21 CO 0.74 -0.17 0.00 0.98 -0.85 0.00 0.00 174.74 175.44 2c45 n TYR 22 N -1.99 -3.92 -4.12 1.40 9.36 -1.26 -4.55 117.16 112.09 2c45 n TYR 22 Ca -0.00 2.06 -0.29 0.00 3.32 0.00 0.00 57.90 62.99 2c45 n TYR 22 Cb 0.55 -3.28 -0.07 0.00 -0.63 0.00 0.00 39.34 35.90 2c45 n TYR 22 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2c45 s VAL 23 N -1.71 4.13 0.00 2.97 1.01 -1.26 -3.75 120.40 121.78 2c45 s VAL 23 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2c45 s VAL 23 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2c45 s VAL 23 CO 0.00 0.06 0.26 0.61 0.00 0.00 0.00 175.10 176.03 2c45 n GLY 24 N 0.34 0.10 7.00 4.51 0.00 -1.25 -5.02 105.19 110.88 2c45 n GLY 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2c45 n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 25 N 0.00 0.00 -4.09 1.61 3.41 -1.18 -3.65 113.62 109.72 2c45 n SER 25 Ca -0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.24 2c45 n SER 25 Cb 0.29 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.08 2c45 n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2c45 s VAL 26 N 0.00 1.96 -0.38 -3.33 1.01 -1.21 0.31 120.40 118.76 2c45 s VAL 26 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2c45 s VAL 26 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2c45 s VAL 26 CO 0.00 0.42 0.32 0.42 0.00 0.00 0.00 175.10 176.26 2c45 s THR 27 N 1.30 5.22 0.04 3.92 -4.23 0.09 0.15 115.64 122.14 2c45 s THR 27 Ca 0.03 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 2c45 s THR 27 Cb -0.14 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2c45 s THR 27 CO -0.11 -0.20 0.10 -0.63 -0.54 0.00 0.00 174.62 173.24 2c45 s ILE 28 N 1.84 4.75 0.03 2.99 1.01 0.46 -2.32 121.20 129.95 2c45 s ILE 28 Ca 0.08 -0.57 -0.35 0.00 0.00 0.00 0.00 60.65 59.82 2c45 s ILE 28 Cb -0.18 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.91 2c45 s ILE 28 CO 0.11 0.22 1.69 -0.67 0.00 0.00 0.00 174.94 176.29 2c45 n ASP 29 N 0.72 3.06 -0.33 3.58 -0.08 -0.59 0.24 116.55 123.15 2c45 n ASP 29 Ca -0.10 1.04 0.02 0.00 -1.51 0.00 0.00 54.79 54.24 2c45 n ASP 29 Cb 0.52 -1.36 0.09 0.00 2.34 0.00 0.00 41.12 42.70 2c45 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c45 h ALA 30 N 7.20 0.43 -0.99 -1.67 0.00 -1.46 0.50 119.26 123.26 2c45 h ALA 30 Ca -0.47 0.32 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2c45 h ALA 30 Cb 1.27 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 2c45 h ALA 30 CO 0.91 -0.48 0.60 -0.44 0.00 0.00 0.00 179.25 179.84 2c45 h ASP 31 N -0.02 0.81 -0.53 0.00 3.32 -1.88 -1.36 116.42 116.77 2c45 h ASP 31 Ca 0.39 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 2c45 h ASP 31 Cb 0.64 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2c45 h ASP 31 CO -0.92 0.35 -0.13 -0.07 -1.72 0.00 0.00 179.24 176.74 2c45 h LEU 32 N 0.83 1.03 -1.07 1.55 3.38 -0.36 0.62 115.31 121.30 2c45 h LEU 32 Ca 0.54 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2c45 h LEU 32 Cb 0.74 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2c45 h LEU 32 CO -0.34 1.15 -0.23 0.24 0.09 0.00 0.00 178.44 179.35 2c45 h MET 33 N 0.91 0.38 0.06 1.13 2.86 -0.66 0.37 114.93 119.98 2c45 h MET 33 Ca 0.14 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 2c45 h MET 33 Cb 0.70 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2c45 h MET 33 CO 0.05 0.60 -0.59 -0.44 1.06 0.00 0.00 176.91 177.59 2c45 h ASP 34 N 0.34 0.42 -0.14 1.22 3.32 -1.27 1.89 116.42 122.20 2c45 h ASP 34 Ca 0.05 -0.87 0.03 0.00 0.02 0.00 0.00 57.03 56.27 2c45 h ASP 34 Cb 0.60 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2c45 h ASP 34 CO 0.04 1.24 -0.04 0.00 -1.72 0.00 0.00 179.24 178.76 2c45 h ALA 35 N 0.18 0.08 -0.14 3.45 0.00 -0.73 -0.17 119.26 121.92 2c45 h ALA 35 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c45 h ALA 35 Cb 1.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2c45 h ALA 35 CO 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.87 2c45 n ALA 36 N -2.33 2.53 -3.08 0.00 0.00 0.13 -4.86 120.51 112.91 2c45 n ALA 36 Ca -0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 2c45 n ALA 36 Cb 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2c45 n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c45 n ASP 37 N 0.03 -6.93 -3.86 0.00 2.03 0.55 -4.65 116.55 103.72 2c45 n ASP 37 Ca 0.14 0.65 -0.12 0.00 0.52 0.00 0.00 54.79 55.98 2c45 n ASP 37 Cb 0.24 -2.67 -0.12 0.00 -0.72 0.00 0.00 41.12 37.84 2c45 n ASP 37 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2c45 s LEU 38 N -1.29 1.66 -0.11 -2.67 1.43 0.61 -4.87 118.68 113.43 2c45 s LEU 38 Ca 0.03 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2c45 s LEU 38 Cb -0.00 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 2c45 s LEU 38 CO 0.28 -0.12 0.03 -0.76 0.23 0.00 0.00 176.35 176.01 2c45 s LEU 39 N -0.36 3.73 -0.28 1.79 1.43 -1.26 -4.54 118.68 119.19 2c45 s LEU 39 Ca -0.04 0.16 -0.37 0.00 -1.03 0.00 0.00 54.13 52.85 2c45 s LEU 39 Cb -0.03 -1.88 -0.13 0.00 0.03 0.00 0.00 46.19 44.18 2c45 s LEU 39 CO 0.00 0.33 2.01 1.21 0.23 0.00 0.00 176.35 180.13 2c45 n GLU 40 N 2.49 1.29 -0.55 1.70 2.13 -1.26 -3.10 120.64 123.34 2c45 n GLU 40 Ca -0.18 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2c45 n GLU 40 Cb 0.53 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.86 2c45 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c45 n GLY 41 N 5.49 -1.17 3.64 8.31 0.00 0.13 -4.99 105.19 116.61 2c45 n GLY 41 Ca 0.34 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 2c45 n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 42 N -0.02 0.40 -0.11 1.61 2.12 -1.18 -4.84 118.70 116.67 2c45 s GLU 42 Ca 0.00 0.68 -0.34 0.00 0.36 0.00 0.00 54.97 55.67 2c45 s GLU 42 Cb 0.00 0.09 -0.11 0.00 0.26 0.00 0.00 34.13 34.36 2c45 s GLU 42 CO 0.00 -0.08 1.93 0.94 -0.54 0.00 0.00 175.26 177.50 2c45 n GLN 43 N 3.65 2.13 -4.67 4.30 7.27 -1.25 -1.74 117.38 127.07 2c45 n GLN 43 Ca -0.18 0.77 -0.26 0.00 0.07 0.00 0.00 57.00 57.39 2c45 n GLN 43 Cb 0.58 -2.68 -0.14 0.00 2.41 0.00 0.00 30.24 30.40 2c45 n GLN 43 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2c45 s VAL 44 N 4.54 1.77 0.06 1.69 1.01 1.37 -4.62 120.40 126.22 2c45 s VAL 44 Ca 0.94 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2c45 s VAL 44 Cb -0.67 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2c45 s VAL 44 CO 0.50 0.22 0.06 -0.89 0.00 0.00 0.00 175.10 175.00 2c45 s THR 45 N -0.83 4.48 -0.04 3.92 2.01 0.11 -0.39 115.64 124.91 2c45 s THR 45 Ca 0.08 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2c45 s THR 45 Cb -0.09 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2c45 s THR 45 CO 0.02 0.18 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.38 2c45 s ILE 46 N -1.32 1.06 -0.10 1.82 1.01 -0.22 -1.42 121.20 122.03 2c45 s ILE 46 Ca 0.27 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2c45 s ILE 46 Cb -0.12 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.44 2c45 s ILE 46 CO 0.19 0.32 -0.06 0.68 0.00 0.00 0.00 174.94 176.07 2c45 s VAL 47 N 0.18 0.89 -0.43 2.92 -7.23 -0.61 -1.62 120.40 114.49 2c45 s VAL 47 Ca -0.04 -0.22 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 2c45 s VAL 47 Cb -0.10 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 35.94 2c45 s VAL 47 CO 0.01 0.34 0.66 -0.62 -0.31 0.00 0.00 175.10 175.18 2c45 s ASP 48 N 1.62 6.35 0.36 4.85 3.68 -0.83 0.02 116.67 132.71 2c45 s ASP 48 Ca 0.02 -0.26 0.05 0.00 2.13 0.00 0.00 52.55 54.49 2c45 s ASP 48 Cb -0.13 -2.33 0.69 0.00 -1.45 0.00 0.00 42.92 39.70 2c45 s ASP 48 CO -0.06 -0.78 1.96 0.40 0.13 0.00 0.00 175.17 176.82 2c45 h ILE 49 N 5.87 1.16 0.00 4.11 5.03 -0.34 0.64 117.51 133.98 2c45 h ILE 49 Ca -0.25 -0.51 -0.12 0.00 -0.12 0.00 0.00 64.86 63.86 2c45 h ILE 49 Cb 1.10 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 35.55 2c45 h ILE 49 CO 0.90 0.19 -0.56 0.44 -0.68 0.00 0.00 178.15 178.44 2c45 h ASP 50 N 0.58 0.00 0.00 1.72 5.19 -1.93 -3.38 116.42 118.61 2c45 h ASP 50 Ca 0.14 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 2c45 h ASP 50 Cb 0.13 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 39.43 2c45 h ASP 50 CO -0.01 0.56 -0.74 -0.46 -3.12 0.00 0.00 179.24 175.47 2c45 n ASN 51 N -3.64 0.45 -2.17 6.45 0.23 -1.09 -5.04 115.26 110.44 2c45 n ASN 51 Ca -0.01 -1.95 -0.07 0.00 -0.53 0.00 0.00 54.58 52.02 2c45 n ASN 51 Cb 0.61 -0.21 -0.01 0.00 -2.08 0.00 0.00 39.78 38.09 2c45 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c45 n GLY 52 N 0.26 -0.23 3.81 4.83 0.00 0.22 -4.95 105.19 109.14 2c45 n GLY 52 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2c45 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 s ALA 53 N -2.16 2.61 -0.15 4.61 0.00 -1.24 -4.77 121.76 120.66 2c45 s ALA 53 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 2c45 s ALA 53 Cb 0.00 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 20.01 2c45 s ALA 53 CO 0.00 -1.31 0.29 1.03 0.00 0.00 0.00 175.76 175.76 2c45 s ARG 54 N -5.03 0.18 0.18 0.00 0.52 -1.25 -1.97 118.95 111.58 2c45 s ARG 54 Ca 0.59 0.74 0.06 0.00 -0.52 0.00 0.00 55.73 56.59 2c45 s ARG 54 Cb -0.14 -0.09 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 2c45 s ARG 54 CO 0.55 -0.33 -0.11 -0.51 0.02 0.00 0.00 175.30 174.93 2c45 s LEU 55 N 2.44 2.51 -0.12 2.53 1.43 -0.64 -4.95 118.68 121.89 2c45 s LEU 55 Ca 0.02 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 2c45 s LEU 55 Cb -0.12 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.64 2c45 s LEU 55 CO -0.10 -0.28 -0.01 -0.69 0.23 0.00 0.00 176.35 175.51 2c45 s VAL 56 N -3.17 0.59 0.30 -1.59 1.01 -1.26 -1.05 120.40 115.22 2c45 s VAL 56 Ca 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 2c45 s VAL 56 Cb 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2c45 s VAL 56 CO 0.04 0.14 0.50 1.07 0.00 0.00 0.00 175.10 176.85 2c45 n THR 57 N 5.06 0.00 -2.62 3.92 5.66 0.47 -4.93 114.28 121.84 2c45 n THR 57 Ca -0.09 -1.14 -0.25 0.00 -3.05 0.00 0.00 64.05 59.53 2c45 n THR 57 Cb 0.49 0.84 0.03 0.00 -1.55 0.00 0.00 70.33 70.13 2c45 n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2c45 s TYR 58 N -3.47 3.17 -0.04 1.09 1.13 -1.26 0.41 117.35 118.38 2c45 s TYR 58 Ca 0.18 0.40 0.03 0.00 -1.41 0.00 0.00 57.07 56.28 2c45 s TYR 58 Cb -0.02 -2.62 -0.03 0.00 -1.10 0.00 0.00 41.96 38.19 2c45 s TYR 58 CO 0.13 -0.70 -0.12 0.00 -2.51 0.00 0.00 175.55 172.35 2c45 s ALA 59 N -2.82 2.78 -0.14 9.51 0.00 -0.71 -3.35 121.76 127.03 2c45 s ALA 59 Ca 0.53 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2c45 s ALA 59 Cb -0.10 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 2c45 s ALA 59 CO 0.42 0.57 -0.16 0.42 0.00 0.00 0.00 175.76 177.00 2c45 s ILE 60 N -0.79 2.65 -0.05 0.00 1.01 0.40 0.18 121.20 124.60 2c45 s ILE 60 Ca 0.12 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2c45 s ILE 60 Cb -0.11 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 2c45 s ILE 60 CO 0.02 0.53 1.76 -0.89 0.00 0.00 0.00 174.94 176.36 2c45 s THR 61 N 0.60 3.41 0.52 2.92 2.01 -1.26 0.17 115.64 124.01 2c45 s THR 61 Ca -0.09 0.49 0.08 0.00 0.31 0.00 0.00 61.69 62.48 2c45 s THR 61 Cb -0.16 -3.33 0.08 0.00 0.01 0.00 0.00 72.50 69.10 2c45 s THR 61 CO 0.03 -0.06 0.70 0.61 -0.69 0.00 0.00 174.62 175.21 2c45 n GLY 62 N 4.35 1.99 3.78 4.40 0.00 0.66 -4.78 105.19 115.59 2c45 n GLY 62 Ca 0.19 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2c45 n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 63 N -4.33 3.42 0.60 1.61 2.12 -1.26 -2.02 118.70 118.84 2c45 s GLU 63 Ca 0.53 1.57 -0.17 0.00 0.36 0.00 0.00 54.97 57.26 2c45 s GLU 63 Cb -0.04 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 2c45 s GLU 63 CO 0.34 -0.78 1.11 1.03 -0.54 0.00 0.00 175.26 176.42 2c45 s ARG 64 N -3.28 3.13 0.00 4.30 0.52 -1.26 -3.55 118.95 118.80 2c45 s ARG 64 Ca 0.72 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2c45 s ARG 64 Cb -0.23 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.26 2c45 s ARG 64 CO 0.26 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.99 2c45 n GLY 65 N -0.26 0.04 0.00 -3.53 0.00 -1.26 -4.58 105.19 95.60 2c45 n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2c45 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 66 N 0.00 0.00 -2.42 1.61 3.41 -1.23 -4.75 113.62 110.24 2c45 n SER 66 Ca 0.00 0.46 -0.14 0.00 -0.26 0.00 0.00 58.87 58.94 2c45 n SER 66 Cb 0.00 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 2c45 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c45 n GLY 67 N -1.46 -0.47 3.77 5.00 0.00 -1.26 -4.87 105.19 105.90 2c45 n GLY 67 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2c45 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c45 s VAL 68 N -2.67 2.81 -0.46 1.61 1.01 -1.26 -4.75 120.40 116.69 2c45 s VAL 68 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2c45 s VAL 68 Cb 0.00 -3.52 0.18 0.00 0.00 0.00 0.00 36.38 33.04 2c45 s VAL 68 CO 0.00 0.19 0.59 -0.63 0.00 0.00 0.00 175.10 175.26 2c45 s ILE 69 N -1.08 -0.67 0.05 2.22 1.01 -1.23 -1.55 121.20 119.95 2c45 s ILE 69 Ca 0.49 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2c45 s ILE 69 Cb -0.39 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2c45 s ILE 69 CO 0.51 -0.30 -0.03 -0.83 0.00 0.00 0.00 174.94 174.29 2c45 s GLY 70 N 0.98 1.86 -0.35 6.18 0.00 -0.98 -1.15 107.32 113.86 2c45 s GLY 70 Ca 0.26 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2c45 s GLY 70 CO -0.08 -1.01 0.10 -0.42 0.00 0.00 0.00 173.10 171.69 2c45 s ILE 71 N -1.18 3.33 -0.28 0.90 1.01 -1.24 -0.73 121.20 123.01 2c45 s ILE 71 Ca 0.22 -1.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.21 2c45 s ILE 71 Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2c45 s ILE 71 CO 0.14 -0.31 0.32 0.20 0.00 0.00 0.00 174.94 175.28 2c45 s ASN 72 N 1.50 6.18 0.48 3.58 -0.87 0.92 -2.50 114.94 124.23 2c45 s ASN 72 Ca -0.00 0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 2c45 s ASN 72 Cb -0.21 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 38.84 2c45 s ASN 72 CO -0.01 -0.15 0.00 0.61 -2.57 0.00 0.00 177.10 174.98 2c45 n GLY 73 N 4.81 -4.80 5.00 0.66 0.00 0.31 -3.10 105.19 108.07 2c45 n GLY 73 Ca -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2c45 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 n ALA 74 N -0.21 0.00 0.18 4.61 0.00 -1.25 -3.86 120.51 119.98 2c45 n ALA 74 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2c45 n ALA 74 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2c45 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 n ALA 75 N 0.00 1.32 0.29 0.00 0.00 -1.26 -0.47 120.51 120.38 2c45 n ALA 75 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2c45 n ALA 75 Cb 0.00 -1.07 0.86 0.00 0.00 0.00 0.00 19.45 19.24 2c45 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 h ALA 76 N 2.18 1.19 -4.07 0.00 0.00 -1.78 -2.93 119.26 113.85 2c45 h ALA 76 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2c45 h ALA 76 Cb 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.87 2c45 h ALA 76 CO 0.00 0.07 0.07 0.72 0.00 0.00 0.00 179.25 180.12 2c45 n HIS 77 N -3.43 -3.42 0.00 0.00 8.25 0.38 -4.42 115.22 112.58 2c45 n HIS 77 Ca -0.02 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2c45 n HIS 77 Cb 0.20 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2c45 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2c45 n LEU 78 N 0.00 0.00 -4.73 2.41 4.77 -1.26 -4.65 117.00 113.54 2c45 n LEU 78 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 2c45 n LEU 78 Cb 0.22 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2c45 n LEU 78 CO 0.15 0.00 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.25 2c45 s VAL 79 N 0.00 4.68 0.26 4.08 1.01 -1.11 -4.78 120.40 124.54 2c45 s VAL 79 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2c45 s VAL 79 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2c45 s VAL 79 CO 0.00 0.59 0.10 -1.00 0.00 0.00 0.00 175.10 174.80 2c45 s HIS 80 N -0.78 1.50 0.75 5.22 3.76 -1.26 -4.48 115.29 120.00 2c45 s HIS 80 Ca 0.12 -1.22 -0.13 0.00 -0.15 0.00 0.00 55.06 53.68 2c45 s HIS 80 Cb -0.12 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.76 2c45 s HIS 80 CO 0.03 -0.38 1.15 -2.14 -0.85 0.00 0.00 174.74 172.54 2c45 s PRO 81 N -4.03 2.18 0.00 8.40 0.02 -1.26 -2.56 135.00 137.75 2c45 s PRO 81 Ca 0.38 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2c45 s PRO 81 Cb 0.08 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2c45 s PRO 81 CO 0.14 -1.75 0.00 0.41 -0.33 0.00 0.00 177.00 175.46 2c45 n GLY 82 N -0.21 0.45 3.70 0.52 0.00 -0.52 -4.91 105.19 104.22 2c45 n GLY 82 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2c45 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c45 s ASP 83 N -2.29 6.52 -0.30 1.61 1.11 -1.06 -4.82 116.67 117.44 2c45 s ASP 83 Ca 0.00 0.61 -0.27 0.00 0.18 0.00 0.00 52.55 53.07 2c45 s ASP 83 Cb 0.00 -2.24 0.01 0.00 1.07 0.00 0.00 42.92 41.76 2c45 s ASP 83 CO 0.00 -0.02 0.99 -0.76 1.18 0.00 0.00 175.17 176.55 2c45 s LEU 84 N 0.95 4.00 0.47 1.23 1.43 -1.26 -1.12 118.68 124.39 2c45 s LEU 84 Ca 0.21 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2c45 s LEU 84 Cb -0.14 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2c45 s LEU 84 CO 0.08 -0.77 0.03 0.68 0.23 0.00 0.00 176.35 176.60 2c45 s VAL 85 N 3.37 1.10 -0.01 -1.59 -7.23 -0.59 0.45 120.40 115.91 2c45 s VAL 85 Ca 0.41 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2c45 s VAL 85 Cb -0.13 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2c45 s VAL 85 CO 0.13 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.19 2c45 s ILE 86 N -2.95 0.80 -0.08 -0.62 1.01 0.10 -2.48 121.20 116.98 2c45 s ILE 86 Ca 0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 2c45 s ILE 86 Cb 0.03 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 2c45 s ILE 86 CO 0.07 0.22 -0.06 -0.76 0.00 0.00 0.00 174.94 174.41 2c45 s LEU 87 N -0.26 3.18 -0.01 2.97 1.43 -1.07 -1.57 118.68 123.35 2c45 s LEU 87 Ca 0.04 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2c45 s LEU 87 Cb -0.04 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2c45 s LEU 87 CO -0.00 0.33 -0.00 -0.63 0.23 0.00 0.00 176.35 176.27 2c45 s ILE 88 N -0.58 0.08 -0.18 -0.59 1.01 -0.51 -2.19 121.20 118.24 2c45 s ILE 88 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2c45 s ILE 88 Cb -0.12 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.28 2c45 s ILE 88 CO 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 174.94 175.00 2c45 s ALA 89 N 0.38 1.31 0.74 9.38 0.00 -0.32 0.09 121.76 133.34 2c45 s ALA 89 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2c45 s ALA 89 Cb -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2c45 s ALA 89 CO -0.01 -0.96 0.00 0.66 0.00 0.00 0.00 175.76 175.45 2c45 n TYR 90 N 4.93 0.00 0.00 0.00 4.02 -1.26 -1.33 117.16 123.52 2c45 n TYR 90 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2c45 n TYR 90 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2c45 n TYR 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2c45 n ALA 91 N -3.00 0.00 -1.77 -0.72 0.00 -0.47 -4.35 120.51 110.20 2c45 n ALA 91 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2c45 n ALA 91 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2c45 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c45 s THR 92 N 0.00 3.43 0.13 0.00 -4.23 -1.26 -1.01 115.64 112.70 2c45 s THR 92 Ca 0.00 1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.53 2c45 s THR 92 Cb 0.00 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.24 2c45 s THR 92 CO 0.00 0.05 0.31 -0.04 -0.54 0.00 0.00 174.62 174.39 2c45 s MET 93 N -2.42 1.04 0.32 3.99 -1.94 0.13 -4.92 119.30 115.50 2c45 s MET 93 Ca 0.58 -0.93 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 2c45 s MET 93 Cb -0.26 0.41 -0.10 0.00 2.01 0.00 0.00 34.83 36.88 2c45 s MET 93 CO 0.33 -0.38 1.27 0.34 -0.01 0.00 0.00 175.02 176.56 2c45 s ASP 94 N -2.87 6.87 0.63 3.03 2.15 -1.26 -1.22 116.67 124.00 2c45 s ASP 94 Ca 0.08 2.60 0.20 0.00 0.43 0.00 0.00 52.55 55.86 2c45 s ASP 94 Cb 0.03 -2.64 0.93 0.00 -0.30 0.00 0.00 42.92 40.94 2c45 s ASP 94 CO -0.08 -0.46 1.47 -0.78 -0.17 0.00 0.00 175.17 175.16 2c45 h ASP 95 N 3.52 0.00 0.33 -0.34 3.58 -1.13 -0.21 116.42 122.17 2c45 h ASP 95 Ca -0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 2c45 h ASP 95 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2c45 h ASP 95 CO 0.66 0.00 -0.16 0.00 -2.88 0.00 0.00 179.24 176.86 2c45 h ALA 96 N 0.75 -0.54 -0.83 -0.78 0.00 -1.88 -3.03 119.26 112.94 2c45 h ALA 96 Ca 0.19 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2c45 h ALA 96 Cb 1.83 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 2c45 h ALA 96 CO -0.00 -0.51 0.54 0.00 0.00 0.00 0.00 179.25 179.28 2c45 h ARG 97 N -0.88 0.59 -0.56 0.00 2.47 -1.40 -1.48 114.38 113.11 2c45 h ARG 97 Ca -0.05 -0.04 0.11 0.00 -1.26 0.00 0.00 59.98 58.75 2c45 h ARG 97 Cb 0.34 -0.13 -0.11 0.00 -1.65 0.00 0.00 29.97 28.42 2c45 h ARG 97 CO 0.07 0.39 -0.28 0.00 0.56 0.00 0.00 179.97 180.71 2c45 h ALA 98 N 1.61 0.07 0.13 0.04 0.00 -1.16 -3.08 119.26 116.87 2c45 h ALA 98 Ca 0.41 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 2c45 h ALA 98 Cb 0.73 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2c45 h ALA 98 CO -0.17 -0.61 -0.20 0.00 0.00 0.00 0.00 179.25 178.27 2c45 h ARG 99 N -0.14 -0.33 -4.72 0.00 3.08 -1.14 -3.39 114.38 107.75 2c45 h ARG 99 Ca 0.24 0.02 -0.70 0.00 0.07 0.00 0.00 59.98 59.62 2c45 h ARG 99 Cb 0.53 0.08 -0.19 0.00 0.08 0.00 0.00 29.97 30.46 2c45 h ARG 99 CO -0.64 -0.22 -0.34 0.95 -1.07 0.00 0.00 179.97 178.65 2c45 s THR 100 N -4.08 5.19 -0.29 2.04 -4.23 -1.16 -5.02 115.64 108.09 2c45 s THR 100 Ca -0.07 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.90 2c45 s THR 100 Cb 0.02 -3.92 0.14 0.00 1.34 0.00 0.00 72.50 70.08 2c45 s THR 100 CO 0.23 -0.27 0.94 -0.47 -0.54 0.00 0.00 174.62 174.50 2c45 s TYR 101 N 1.89 -0.65 -0.45 3.99 6.04 -1.26 -4.77 117.35 122.14 2c45 s TYR 101 Ca 0.08 1.29 -0.17 0.00 0.04 0.00 0.00 57.07 58.31 2c45 s TYR 101 Cb -0.18 0.39 0.04 0.00 -1.04 0.00 0.00 41.96 41.17 2c45 s TYR 101 CO 0.12 -0.32 0.43 -0.65 -1.54 0.00 0.00 175.55 173.59 2c45 s GLN 102 N 1.48 3.05 0.13 4.97 -0.21 -1.26 -5.05 119.66 122.78 2c45 s GLN 102 Ca -0.09 -0.97 -0.31 0.00 0.02 0.00 0.00 55.36 54.01 2c45 s GLN 102 Cb -0.04 -4.03 -0.08 0.00 1.00 0.00 0.00 33.01 29.85 2c45 s GLN 102 CO -0.16 -0.94 1.42 -2.14 -2.12 0.00 0.00 175.29 171.35 2c45 s PRO 103 N 2.02 4.31 -0.86 2.91 0.02 -1.26 -4.89 135.00 137.24 2c45 s PRO 103 Ca 0.09 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 2c45 s PRO 103 Cb -0.20 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 2c45 s PRO 103 CO 0.11 -0.45 1.95 1.03 -0.33 0.00 0.00 177.00 179.30 2c45 s ARG 104 N 0.97 2.54 -0.19 5.54 1.81 -0.68 -4.93 118.95 124.01 2c45 s ARG 104 Ca 0.65 -0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 54.38 2c45 s ARG 104 Cb -0.38 -4.97 -0.05 0.00 -0.45 0.00 0.00 34.95 29.10 2c45 s ARG 104 CO 0.31 -3.31 0.24 0.42 -0.68 0.00 0.00 175.30 172.28 2c45 s ILE 105 N 10.05 5.33 -0.31 1.52 1.01 -1.26 -2.26 121.20 135.27 2c45 s ILE 105 Ca 0.70 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.77 2c45 s ILE 105 Cb -0.08 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.89 2c45 s ILE 105 CO 0.02 0.37 -0.00 -0.69 0.00 0.00 0.00 174.94 174.64 2c45 s VAL 106 N 0.68 2.48 0.53 2.92 1.01 0.31 -4.98 120.40 123.35 2c45 s VAL 106 Ca 0.13 -1.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 2c45 s VAL 106 Cb -0.13 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 2c45 s VAL 106 CO 0.03 -0.31 1.03 -0.36 0.00 0.00 0.00 175.10 175.50 2c45 s PHE 107 N 1.07 3.09 0.16 5.22 2.99 -1.26 -0.14 117.98 129.10 2c45 s PHE 107 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 56.93 58.48 2c45 s PHE 107 Cb -0.20 -2.98 -0.04 0.00 0.00 0.00 0.00 43.02 39.79 2c45 s PHE 107 CO -0.05 -0.84 0.01 0.54 -0.00 0.00 0.00 175.22 174.88 2c45 s VAL 108 N -2.30 0.60 0.51 -0.44 0.11 -1.18 -4.16 120.40 113.54 2c45 s VAL 108 Ca 0.64 -1.97 -0.13 0.00 -2.93 0.00 0.00 61.98 57.59 2c45 s VAL 108 Cb -0.15 -2.08 -0.06 0.00 -1.53 0.00 0.00 36.38 32.56 2c45 s VAL 108 CO 0.29 -0.50 0.94 -0.62 -3.33 0.00 0.00 175.10 171.87 2c45 s ASP 109 N -3.15 6.50 0.00 3.54 -1.08 -1.26 -4.77 116.67 116.45 2c45 s ASP 109 Ca 0.23 1.41 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 2c45 s ASP 109 Cb 0.06 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 2c45 s ASP 109 CO 0.03 -0.61 0.84 0.00 0.52 0.00 0.00 175.17 175.95 2c45 n ALA 110 N -1.82 1.06 0.01 3.66 0.00 -1.26 0.23 120.51 122.40 2c45 n ALA 110 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2c45 n ALA 110 Cb 0.54 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 19.07 2c45 n ALA 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c45 n TYR 111 N -1.34 0.06 -2.28 0.00 0.53 -1.26 -4.88 117.16 107.99 2c45 n TYR 111 Ca 0.00 -0.31 -0.02 0.00 -1.02 0.00 0.00 57.90 56.55 2c45 n TYR 111 Cb 0.02 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 2c45 n TYR 111 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2c45 n ASN 112 N -0.14 -5.71 0.18 7.72 3.02 0.64 -4.58 115.26 116.39 2c45 n ASN 112 Ca 0.02 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 2c45 n ASN 112 Cb 0.20 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2c45 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2c45 n LYS 113 N 0.14 0.00 0.00 3.52 5.02 -1.26 -4.51 118.16 121.07 2c45 n LYS 113 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2c45 n LYS 113 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20