#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 3.11 0.12 3.17 1.43 -1.26 -0.43 118.68 124.81 2c45 s LEU 2 Ca 0.00 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2c45 s LEU 2 Cb 0.00 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2c45 s LEU 2 CO 0.00 -0.05 0.05 -0.13 0.23 0.00 0.00 176.35 176.44 2c45 s ARG 3 N 1.48 2.67 -0.19 1.70 0.52 -0.43 -4.85 118.95 119.85 2c45 s ARG 3 Ca 0.05 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 2c45 s ARG 3 Cb -0.15 -2.58 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 2c45 s ARG 3 CO -0.02 0.52 0.19 -0.08 0.02 0.00 0.00 175.30 175.93 2c45 s THR 4 N -1.48 5.37 0.03 0.02 -1.32 -1.26 0.08 115.64 117.08 2c45 s THR 4 Ca 0.28 0.32 -0.06 0.00 -1.21 0.00 0.00 61.69 61.02 2c45 s THR 4 Cb -0.11 -3.53 -0.01 0.00 -1.51 0.00 0.00 72.50 67.34 2c45 s THR 4 CO 0.20 0.41 0.11 -0.04 -2.21 0.00 0.00 174.62 173.09 2c45 s MET 5 N 0.46 0.57 -0.42 7.08 1.00 0.13 -4.85 119.30 123.27 2c45 s MET 5 Ca 0.11 -0.67 -0.29 0.00 0.00 0.00 0.00 55.69 54.84 2c45 s MET 5 Cb -0.12 0.23 -0.09 0.00 0.00 0.00 0.00 34.83 34.85 2c45 s MET 5 CO 0.00 -0.14 2.33 -0.11 0.00 0.00 0.00 175.02 177.10 2c45 n LEU 6 N 0.92 2.37 -0.06 -0.03 7.94 -1.26 -1.03 117.00 125.86 2c45 n LEU 6 Ca -0.20 0.01 -0.21 0.00 -1.11 0.00 0.00 56.01 54.50 2c45 n LEU 6 Cb 0.58 -1.43 -0.13 0.00 0.53 0.00 0.00 43.42 42.97 2c45 n LEU 6 CO 0.22 -1.01 -1.00 1.17 -1.11 0.00 0.00 177.39 175.66 2c45 n LYS 7 N 8.68 0.69 -3.75 1.96 4.81 -0.49 -4.59 118.16 125.48 2c45 n LYS 7 Ca 0.39 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.97 2c45 n LYS 7 Cb 0.39 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 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 -6.89 -0.12 -0.28 3.14 1.04 -0.58 -1.08 113.70 108.92 2c45 s SER 8 Ca -0.28 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.80 2c45 s SER 8 Cb 0.08 0.37 0.11 0.00 0.10 0.00 0.00 66.02 66.68 2c45 s SER 8 CO 0.68 -0.65 0.64 -0.75 0.98 0.00 0.00 173.24 174.14 2c45 s LYS 9 N -2.77 0.61 -0.55 4.02 2.20 -0.98 -1.08 119.74 121.19 2c45 s LYS 9 Ca -0.03 1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 56.74 2c45 s LYS 9 Cb -0.00 0.56 0.11 0.00 -1.51 0.00 0.00 37.83 36.99 2c45 s LYS 9 CO -0.05 -0.18 0.57 0.42 -0.36 0.00 0.00 175.35 175.75 2c45 s ILE 10 N 2.39 5.05 -0.38 5.43 1.01 -0.65 -0.93 121.20 133.13 2c45 s ILE 10 Ca -0.07 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.10 2c45 s ILE 10 Cb -0.09 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 38.03 2c45 s ILE 10 CO -0.19 -0.92 1.15 -2.28 0.00 0.00 0.00 174.94 172.70 2c45 s HIS 11 N 2.07 2.92 -0.66 3.97 2.46 -0.45 -2.50 115.29 123.10 2c45 s HIS 11 Ca 0.07 0.95 -0.03 0.00 0.47 0.00 0.00 55.06 56.52 2c45 s HIS 11 Cb -0.26 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.17 2c45 s HIS 11 CO 0.05 -1.15 0.40 0.54 -2.47 0.00 0.00 174.74 172.11 2c45 n ARG 12 N 7.35 -2.88 -2.32 2.88 1.74 -1.18 -3.36 116.66 118.88 2c45 n ARG 12 Ca 0.13 0.39 -0.33 0.00 -0.77 0.00 0.00 57.85 57.27 2c45 n ARG 12 Cb 0.48 -4.13 -0.02 0.00 -1.02 0.00 0.00 32.46 27.77 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 -2.98 2.84 -0.19 7.54 0.00 -0.97 -4.76 121.76 123.24 2c45 s ALA 13 Ca 0.20 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 2c45 s ALA 13 Cb -0.09 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2c45 s ALA 13 CO 0.25 -0.51 0.13 0.99 0.00 0.00 0.00 175.76 176.62 2c45 s THR 14 N -2.25 5.42 -0.38 0.00 2.01 -1.26 -1.30 115.64 117.87 2c45 s THR 14 Ca 0.65 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 2c45 s THR 14 Cb -0.15 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2c45 s THR 14 CO 0.28 0.46 1.86 -0.69 -0.69 0.00 0.00 174.62 175.84 2c45 s VAL 15 N 0.20 3.41 0.03 3.82 1.01 -0.20 -4.71 120.40 123.96 2c45 s VAL 15 Ca 0.09 0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 2c45 s VAL 15 Cb -0.11 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2c45 s VAL 15 CO -0.01 -0.46 1.26 0.74 0.00 0.00 0.00 175.10 176.62 2c45 h THR 16 N 6.88 0.00 -3.03 3.92 2.02 -1.58 -0.64 112.91 120.50 2c45 h THR 16 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2c45 h THR 16 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2c45 h THR 16 CO 1.07 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.96 2c45 s ALA 18 N -2.00 -2.55 -0.08 0.00 0.00 -1.26 -3.73 121.76 112.14 2c45 s ALA 18 Ca 0.00 1.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.85 2c45 s ALA 18 Cb 0.00 -1.92 0.05 0.00 0.00 0.00 0.00 23.12 21.24 2c45 s ALA 18 CO 0.00 -0.27 0.13 0.34 0.00 0.00 0.00 175.76 175.96 2c45 s ASP 19 N 0.82 0.98 0.17 0.00 2.15 -1.03 -4.97 116.67 114.79 2c45 s ASP 19 Ca -0.05 0.18 -0.13 0.00 0.43 0.00 0.00 52.55 52.99 2c45 s ASP 19 Cb -0.03 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.79 2c45 s ASP 19 CO -0.11 -0.26 1.75 0.25 -0.17 0.00 0.00 175.17 176.63 2c45 h LEU 20 N 8.39 0.76-10.26 -1.34 5.85 -1.93 0.44 115.31 117.22 2c45 h LEU 20 Ca -0.13 -0.14 -0.49 0.00 0.84 0.00 0.00 57.88 57.96 2c45 h LEU 20 Cb 1.12 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.98 2c45 h LEU 20 CO 0.16 0.69 0.01 -1.00 -0.34 0.00 0.00 178.44 177.96 2c45 s HIS 21 N -5.67 3.53 0.28 1.25 3.76 -1.26 -3.20 115.29 113.98 2c45 s HIS 21 Ca -0.13 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2c45 s HIS 21 Cb 0.13 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.63 2c45 s HIS 21 CO 0.78 -0.13 0.00 0.98 -0.85 0.00 0.00 174.74 175.52 2c45 n TYR 22 N -1.97 -3.75 -4.10 1.40 9.36 -1.26 -4.57 117.16 112.27 2c45 n TYR 22 Ca -0.01 2.00 -0.28 0.00 3.32 0.00 0.00 57.90 62.93 2c45 n TYR 22 Cb 0.55 -3.21 -0.06 0.00 -0.63 0.00 0.00 39.34 35.99 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 -1.58 4.32 0.00 2.97 1.01 -1.26 -3.81 120.40 122.06 2c45 s VAL 23 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2c45 s VAL 23 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2c45 s VAL 23 CO 0.00 -0.02 0.10 0.61 0.00 0.00 0.00 175.10 175.79 2c45 n GLY 24 N 0.02 -0.07 7.00 4.51 0.00 -1.25 -5.02 105.19 110.38 2c45 n GLY 24 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.16 1.61 3.41 -1.18 -3.76 113.62 109.53 2c45 n SER 25 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 2c45 n SER 25 Cb 0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 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 2.39 -0.30 -3.33 1.01 -1.21 0.21 120.40 119.16 2c45 s VAL 26 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2c45 s VAL 26 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2c45 s VAL 26 CO 0.00 0.49 0.20 0.42 0.00 0.00 0.00 175.10 176.21 2c45 s THR 27 N 1.33 5.23 0.09 3.92 -4.23 0.13 0.97 115.64 123.07 2c45 s THR 27 Ca 0.05 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 2c45 s THR 27 Cb -0.14 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2c45 s THR 27 CO -0.10 0.14 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.48 2c45 s ILE 28 N 1.73 3.97 0.04 2.99 1.01 0.28 -1.79 121.20 129.43 2c45 s ILE 28 Ca 0.06 -0.99 -0.34 0.00 0.00 0.00 0.00 60.65 59.39 2c45 s ILE 28 Cb -0.17 -2.88 -0.13 0.00 0.01 0.00 0.00 42.46 39.30 2c45 s ILE 28 CO 0.10 0.13 1.74 -0.67 0.00 0.00 0.00 174.94 176.25 2c45 n ASP 29 N 0.62 3.33 -0.39 3.58 -0.08 -0.69 0.18 116.55 123.12 2c45 n ASP 29 Ca -0.11 1.02 -0.06 0.00 -1.51 0.00 0.00 54.79 54.13 2c45 n ASP 29 Cb 0.52 -1.41 -0.03 0.00 2.34 0.00 0.00 41.12 42.54 2c45 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c45 n ALA 30 N 5.14 -0.39 -0.33 -1.67 0.00 -0.97 0.30 120.51 122.59 2c45 n ALA 30 Ca 0.20 0.88 0.16 0.00 0.00 0.00 0.00 53.44 54.68 2c45 n ALA 30 Cb 0.30 -0.27 0.36 0.00 0.00 0.00 0.00 19.45 19.85 2c45 n ALA 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2c45 h ASP 31 N 0.00 0.55 -0.49 0.00 3.32 -1.88 0.24 116.42 118.15 2c45 h ASP 31 Ca 0.23 0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.34 2c45 h ASP 31 Cb 0.47 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2c45 h ASP 31 CO -0.92 0.05 -0.03 -0.07 -1.72 0.00 0.00 179.24 176.55 2c45 h LEU 32 N 0.50 0.88 -1.32 1.55 3.38 -0.50 0.19 115.31 119.98 2c45 h LEU 32 Ca 0.62 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2c45 h LEU 32 Cb 1.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2c45 h LEU 32 CO -0.50 0.99 -0.13 0.24 0.09 0.00 0.00 178.44 179.13 2c45 h MET 33 N 0.75 0.30 0.17 1.13 2.86 0.20 0.44 114.93 120.77 2c45 h MET 33 Ca 0.14 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.47 2c45 h MET 33 Cb 0.56 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.21 2c45 h MET 33 CO 0.03 0.43 -1.02 -0.44 1.06 0.00 0.00 176.91 176.97 2c45 h ASP 34 N 0.28 0.60 -0.43 1.22 3.32 -1.18 1.50 116.42 121.73 2c45 h ASP 34 Ca 0.06 -0.94 0.03 0.00 0.02 0.00 0.00 57.03 56.19 2c45 h ASP 34 Cb 0.41 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2c45 h ASP 34 CO 0.02 1.49 0.24 0.00 -1.72 0.00 0.00 179.24 179.28 2c45 h ALA 35 N 0.11 0.55 -0.23 3.45 0.00 -0.26 -0.84 119.26 122.03 2c45 h ALA 35 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2c45 h ALA 35 Cb 1.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2c45 h ALA 35 CO 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2c45 n ALA 36 N -2.27 2.49 -3.14 0.00 0.00 0.15 -4.85 120.51 112.90 2c45 n ALA 36 Ca 0.02 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.66 2c45 n ALA 36 Cb 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 0.61 -6.81 -3.91 0.00 2.03 0.59 -4.66 116.55 104.41 2c45 n ASP 37 Ca 0.16 0.41 -0.12 0.00 0.52 0.00 0.00 54.79 55.77 2c45 n ASP 37 Cb 0.39 -3.26 -0.13 0.00 -0.72 0.00 0.00 41.12 37.39 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 -2.06 2.06 -0.07 -2.67 1.43 0.48 -4.87 118.68 112.98 2c45 s LEU 38 Ca 0.21 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2c45 s LEU 38 Cb -0.03 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 2c45 s LEU 38 CO 0.65 -0.07 0.03 -0.76 0.23 0.00 0.00 176.35 176.43 2c45 s LEU 39 N -0.40 3.71 -0.20 1.79 1.43 -1.26 -4.53 118.68 119.22 2c45 s LEU 39 Ca -0.04 0.17 -0.34 0.00 -1.03 0.00 0.00 54.13 52.89 2c45 s LEU 39 Cb -0.03 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 2c45 s LEU 39 CO -0.00 0.36 2.00 1.21 0.23 0.00 0.00 176.35 180.15 2c45 n GLU 40 N 1.93 1.73 -0.56 1.70 2.13 -1.26 -3.41 120.64 122.89 2c45 n GLU 40 Ca -0.18 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2c45 n GLU 40 Cb 0.54 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.63 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 5.17 -1.20 3.64 8.31 0.00 0.10 -4.98 105.19 116.23 2c45 n GLY 41 Ca 0.29 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.22 0.01 1.61 2.12 -1.22 -4.85 118.70 116.58 2c45 s GLU 42 Ca 0.00 0.39 -0.34 0.00 0.36 0.00 0.00 54.97 55.38 2c45 s GLU 42 Cb 0.00 0.05 -0.12 0.00 0.26 0.00 0.00 34.13 34.31 2c45 s GLU 42 CO 0.00 -0.05 1.77 0.94 -0.54 0.00 0.00 175.26 177.38 2c45 n GLN 43 N 3.45 2.20 -4.48 4.30 7.27 -1.26 -2.15 117.38 126.71 2c45 n GLN 43 Ca -0.18 0.80 -0.21 0.00 0.07 0.00 0.00 57.00 57.48 2c45 n GLN 43 Cb 0.57 -2.62 -0.14 0.00 2.41 0.00 0.00 30.24 30.46 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 2.90 1.08 -0.02 1.69 1.01 1.04 -4.64 120.40 123.46 2c45 s VAL 44 Ca 0.87 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2c45 s VAL 44 Cb -0.68 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2c45 s VAL 44 CO 0.46 0.15 -0.01 -0.89 0.00 0.00 0.00 175.10 174.81 2c45 s THR 45 N -0.58 4.08 -0.04 3.92 2.01 0.17 -0.80 115.64 124.40 2c45 s THR 45 Ca 0.03 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2c45 s THR 45 Cb -0.06 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2c45 s THR 45 CO 0.00 0.44 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.53 2c45 s ILE 46 N -1.02 1.74 -0.07 1.82 1.01 -0.79 -0.27 121.20 123.63 2c45 s ILE 46 Ca 0.17 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 2c45 s ILE 46 Cb -0.11 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.92 2c45 s ILE 46 CO 0.08 0.49 -0.02 0.68 0.00 0.00 0.00 174.94 176.16 2c45 s VAL 47 N -0.22 0.51 -0.51 2.92 -7.23 -0.58 -2.23 120.40 113.05 2c45 s VAL 47 Ca 0.01 -0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.96 2c45 s VAL 47 Cb -0.11 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.28 2c45 s VAL 47 CO 0.02 0.26 0.70 -0.62 -0.31 0.00 0.00 175.10 175.15 2c45 s ASP 48 N 1.57 6.26 0.32 4.85 3.68 -1.03 -0.17 116.67 132.15 2c45 s ASP 48 Ca -0.01 -0.71 0.04 0.00 2.13 0.00 0.00 52.55 54.01 2c45 s ASP 48 Cb -0.13 -2.33 0.65 0.00 -1.45 0.00 0.00 42.92 39.66 2c45 s ASP 48 CO -0.04 -0.95 1.87 0.40 0.13 0.00 0.00 175.17 176.58 2c45 h ILE 49 N 5.90 0.94 -0.12 4.11 5.03 -0.71 1.15 117.51 133.81 2c45 h ILE 49 Ca -0.27 -0.31 -0.13 0.00 -0.12 0.00 0.00 64.86 64.03 2c45 h ILE 49 Cb 1.09 -0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 2c45 h ILE 49 CO 0.98 0.16 -0.50 0.44 -0.68 0.00 0.00 178.15 178.55 2c45 h ASP 50 N 0.89 0.34 0.00 1.72 5.19 -1.93 -3.37 116.42 119.26 2c45 h ASP 50 Ca 0.44 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.59 2c45 h ASP 50 Cb 0.48 -0.10 -0.22 0.00 0.18 0.00 0.00 39.33 39.68 2c45 h ASP 50 CO -0.20 0.79 -0.77 -0.46 -3.12 0.00 0.00 179.24 175.47 2c45 n ASN 51 N -3.96 0.82 -2.08 6.45 0.23 -0.83 -5.03 115.26 110.86 2c45 n ASN 51 Ca -0.02 -2.22 -0.06 0.00 -0.53 0.00 0.00 54.58 51.75 2c45 n ASN 51 Cb 0.55 -0.30 -0.01 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.11 -0.18 3.78 4.83 0.00 0.39 -4.93 105.19 109.19 2c45 n GLY 52 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.06 2.08 -0.21 4.61 0.00 -1.24 -4.78 121.76 120.16 2c45 s ALA 53 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2c45 s ALA 53 Cb 0.00 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 20.09 2c45 s ALA 53 CO 0.00 -1.88 0.38 1.03 0.00 0.00 0.00 175.76 175.29 2c45 s ARG 54 N -5.08 0.31 0.24 0.00 0.52 -1.26 -2.46 118.95 111.21 2c45 s ARG 54 Ca 0.61 0.80 0.07 0.00 -0.52 0.00 0.00 55.73 56.70 2c45 s ARG 54 Cb -0.15 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 2c45 s ARG 54 CO 0.55 -0.41 -0.10 -0.51 0.02 0.00 0.00 175.30 174.85 2c45 s LEU 55 N 2.56 2.51 -0.08 2.53 1.43 -0.95 -4.98 118.68 121.70 2c45 s LEU 55 Ca 0.04 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2c45 s LEU 55 Cb -0.13 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.46 2c45 s LEU 55 CO -0.13 -0.25 -0.03 -0.69 0.23 0.00 0.00 176.35 175.48 2c45 s VAL 56 N -3.00 0.60 0.39 -1.59 1.01 -1.26 -1.88 120.40 114.68 2c45 s VAL 56 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 2c45 s VAL 56 Cb 0.01 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2c45 s VAL 56 CO 0.09 0.29 0.75 0.28 0.00 0.00 0.00 175.10 176.51 2c45 s THR 57 N 1.75 0.00 0.67 3.92 -1.32 0.02 -4.94 115.64 115.74 2c45 s THR 57 Ca 0.03 -1.10 -0.04 0.00 -1.21 0.00 0.00 61.69 59.37 2c45 s THR 57 Cb -0.13 -2.94 0.06 0.00 -1.51 0.00 0.00 72.50 67.99 2c45 s THR 57 CO -0.05 0.00 0.96 -0.72 -2.21 0.00 0.00 174.62 172.60 2c45 s TYR 58 N -2.24 2.77 -0.02 9.09 1.13 -1.26 0.34 117.35 127.16 2c45 s TYR 58 Ca 0.18 0.27 0.06 0.00 -1.41 0.00 0.00 57.07 56.18 2c45 s TYR 58 Cb -0.04 -3.10 -0.02 0.00 -1.10 0.00 0.00 41.96 37.69 2c45 s TYR 58 CO 0.14 -1.33 -0.21 0.00 -2.51 0.00 0.00 175.55 171.63 2c45 s ALA 59 N -3.13 2.38 -0.12 9.51 0.00 -0.91 -3.33 121.76 126.15 2c45 s ALA 59 Ca 0.60 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2c45 s ALA 59 Cb -0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2c45 s ALA 59 CO 0.43 0.54 -0.18 0.42 0.00 0.00 0.00 175.76 176.97 2c45 s ILE 60 N -0.68 2.55 -0.22 0.00 1.01 0.27 0.01 121.20 124.14 2c45 s ILE 60 Ca 0.11 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2c45 s ILE 60 Cb -0.10 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2c45 s ILE 60 CO 0.00 0.54 1.82 -0.89 0.00 0.00 0.00 174.94 176.41 2c45 s THR 61 N 0.42 3.43 0.44 2.92 2.01 -1.26 1.00 115.64 124.60 2c45 s THR 61 Ca -0.13 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2c45 s THR 61 Cb -0.17 -3.48 0.08 0.00 0.01 0.00 0.00 72.50 68.94 2c45 s THR 61 CO 0.06 -0.24 0.61 0.61 -0.69 0.00 0.00 174.62 174.97 2c45 n GLY 62 N 5.06 1.21 3.79 4.40 0.00 0.48 -4.82 105.19 115.30 2c45 n GLY 62 Ca 0.22 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 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 -4.00 3.49 0.42 1.61 2.12 -1.26 -2.30 118.70 118.78 2c45 s GLU 63 Ca 0.42 1.44 -0.24 0.00 0.36 0.00 0.00 54.97 56.96 2c45 s GLU 63 Cb -0.03 -2.04 -0.08 0.00 0.26 0.00 0.00 34.13 32.24 2c45 s GLU 63 CO 0.28 -0.70 1.11 1.03 -0.54 0.00 0.00 175.26 176.44 2c45 s ARG 64 N -3.42 4.01 0.00 4.30 0.52 -1.26 -3.56 118.95 119.54 2c45 s ARG 64 Ca 0.69 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 2c45 s ARG 64 Cb -0.20 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.75 2c45 s ARG 64 CO 0.26 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.68 2c45 n GLY 65 N 0.44 0.84 0.04 -3.53 0.00 -1.26 -4.63 105.19 97.08 2c45 n GLY 65 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 0.01 0.13 -2.47 1.61 3.41 -1.23 -4.76 113.62 110.32 2c45 n SER 66 Ca 0.00 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 59.01 2c45 n SER 66 Cb 0.00 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.29 -0.50 3.77 5.00 0.00 -1.26 -4.89 105.19 106.02 2c45 n GLY 67 Ca 0.00 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.77 2.69 -0.52 1.61 1.01 -1.26 -4.77 120.40 116.39 2c45 s VAL 68 Ca 0.02 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2c45 s VAL 68 Cb -0.01 -3.36 0.19 0.00 0.00 0.00 0.00 36.38 33.20 2c45 s VAL 68 CO 0.02 0.09 0.73 -0.38 0.00 0.00 0.00 175.10 175.56 2c45 n ILE 69 N 0.14 -0.02 -4.11 2.22 5.41 -1.22 -1.70 119.36 120.09 2c45 n ILE 69 Ca 0.04 -1.04 -0.31 0.00 1.00 0.00 0.00 62.75 62.43 2c45 n ILE 69 Cb 0.44 0.97 -0.07 0.00 -0.71 0.00 0.00 39.64 40.27 2c45 n ILE 69 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2c45 s GLY 70 N 0.82 1.98 -0.38 7.39 0.00 -0.74 -1.53 107.32 114.86 2c45 s GLY 70 Ca 0.30 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 2c45 s GLY 70 CO -0.06 -0.93 0.15 -0.42 0.00 0.00 0.00 173.10 171.84 2c45 s ILE 71 N -1.29 3.27 -0.25 0.90 1.01 -1.24 -0.69 121.20 122.90 2c45 s ILE 71 Ca 0.26 -1.81 -0.14 0.00 0.00 0.00 0.00 60.65 58.96 2c45 s ILE 71 Cb -0.12 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2c45 s ILE 71 CO 0.18 -0.51 0.32 0.20 0.00 0.00 0.00 174.94 175.14 2c45 s ASN 72 N 1.66 6.23 0.39 3.58 -0.87 0.55 -2.46 114.94 124.03 2c45 s ASN 72 Ca 0.04 0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2c45 s ASN 72 Cb -0.22 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 2c45 s ASN 72 CO -0.03 -0.11 0.00 0.61 -2.57 0.00 0.00 177.10 175.00 2c45 n GLY 73 N 4.55 -5.10 5.00 0.66 0.00 0.15 -3.12 105.19 107.33 2c45 n GLY 73 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.54 0.00 0.00 4.61 0.00 -1.26 -3.93 120.51 120.48 2c45 n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c45 n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.08 0.31 0.00 0.00 -1.26 0.43 120.51 121.06 2c45 n ALA 75 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2c45 n ALA 75 Cb 0.00 -0.99 0.95 0.00 0.00 0.00 0.00 19.45 19.41 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 1.98 1.01 -3.67 0.00 0.00 -1.76 -3.05 119.26 113.76 2c45 h ALA 76 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2c45 h ALA 76 Cb 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2c45 h ALA 76 CO 0.00 0.00 0.02 0.72 0.00 0.00 0.00 179.25 180.00 2c45 n HIS 77 N -3.10 -3.48 0.00 0.00 8.25 0.17 -4.46 115.22 112.60 2c45 n HIS 77 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2c45 n HIS 77 Cb 0.19 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 -4.69 2.41 4.77 -1.26 -4.67 117.00 113.55 2c45 n LEU 78 Ca 0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 2c45 n LEU 78 Cb 0.07 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2c45 n LEU 78 CO 0.05 0.00 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.14 2c45 s VAL 79 N 0.00 4.57 0.25 4.08 1.01 -1.15 -4.76 120.40 124.39 2c45 s VAL 79 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2c45 s VAL 79 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2c45 s VAL 79 CO 0.00 0.57 0.06 -1.00 0.00 0.00 0.00 175.10 174.73 2c45 s HIS 80 N -0.58 1.54 0.83 5.22 3.76 -1.26 -4.54 115.29 120.25 2c45 s HIS 80 Ca 0.10 -1.07 -0.12 0.00 -0.15 0.00 0.00 55.06 53.82 2c45 s HIS 80 Cb -0.12 -0.91 0.09 0.00 1.11 0.00 0.00 32.58 32.76 2c45 s HIS 80 CO 0.02 -0.21 1.16 -2.14 -0.85 0.00 0.00 174.74 172.72 2c45 s PRO 81 N -3.96 1.60 0.00 8.40 0.02 -1.26 -2.28 135.00 137.52 2c45 s PRO 81 Ca 0.33 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2c45 s PRO 81 Cb 0.07 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.80 2c45 s PRO 81 CO 0.11 -2.20 0.00 0.41 -0.33 0.00 0.00 177.00 174.99 2c45 n GLY 82 N 0.07 0.37 3.78 0.52 0.00 -0.25 -4.91 105.19 104.78 2c45 n GLY 82 Ca 0.12 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 -2.25 6.73 -0.34 1.61 1.11 -0.96 -4.81 116.67 117.75 2c45 s ASP 83 Ca 0.00 0.86 -0.23 0.00 0.18 0.00 0.00 52.55 53.36 2c45 s ASP 83 Cb 0.00 -2.26 0.01 0.00 1.07 0.00 0.00 42.92 41.74 2c45 s ASP 83 CO 0.00 0.18 0.79 -0.76 1.18 0.00 0.00 175.17 176.55 2c45 s LEU 84 N -0.27 4.11 0.51 1.23 1.43 -1.26 -1.04 118.68 123.39 2c45 s LEU 84 Ca 0.24 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2c45 s LEU 84 Cb -0.16 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 2c45 s LEU 84 CO 0.11 -0.69 0.00 0.68 0.23 0.00 0.00 176.35 176.69 2c45 s VAL 85 N 3.05 1.20 -0.02 -1.59 -7.23 -0.42 0.07 120.40 115.46 2c45 s VAL 85 Ca 0.32 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2c45 s VAL 85 Cb -0.14 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2c45 s VAL 85 CO 0.15 0.00 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.26 2c45 s ILE 86 N -2.87 0.50 -0.13 -0.62 1.01 0.75 -2.30 121.20 117.54 2c45 s ILE 86 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2c45 s ILE 86 Cb 0.02 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 2c45 s ILE 86 CO 0.04 0.18 -0.00 -0.76 0.00 0.00 0.00 174.94 174.39 2c45 s LEU 87 N 0.32 3.49 -0.01 2.97 1.43 -1.04 -1.53 118.68 124.31 2c45 s LEU 87 Ca -0.04 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2c45 s LEU 87 Cb -0.08 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2c45 s LEU 87 CO -0.00 0.25 -0.05 -0.63 0.23 0.00 0.00 176.35 176.15 2c45 s ILE 88 N -0.10 0.42 -0.09 -0.59 1.01 0.63 -1.64 121.20 120.84 2c45 s ILE 88 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 2c45 s ILE 88 Cb -0.13 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.00 2c45 s ILE 88 CO 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 174.94 175.07 2c45 s ALA 89 N 0.01 0.90 0.59 9.38 0.00 -0.24 0.42 121.76 132.82 2c45 s ALA 89 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2c45 s ALA 89 Cb -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2c45 s ALA 89 CO -0.00 -0.50 0.00 0.66 0.00 0.00 0.00 175.76 175.92 2c45 n TYR 90 N 5.08 0.00 0.00 0.00 4.02 -1.26 -1.39 117.16 123.61 2c45 n TYR 90 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2c45 n TYR 90 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 -1.76 -0.72 0.00 -0.19 -4.31 120.51 110.52 2c45 n ALA 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2c45 n ALA 91 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.06 3.88 0.08 0.00 -4.23 -1.26 0.19 115.64 114.24 2c45 s THR 92 Ca 0.00 1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 62.19 2c45 s THR 92 Cb 0.00 -4.10 0.01 0.00 1.34 0.00 0.00 72.50 69.75 2c45 s THR 92 CO 0.00 0.35 0.24 -0.04 -0.54 0.00 0.00 174.62 174.63 2c45 s MET 93 N -1.54 0.86 0.33 3.99 -1.94 0.11 -4.92 119.30 116.19 2c45 s MET 93 Ca 0.45 -0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 2c45 s MET 93 Cb -0.26 0.36 -0.10 0.00 2.01 0.00 0.00 34.83 36.83 2c45 s MET 93 CO 0.33 -0.28 1.31 0.34 -0.01 0.00 0.00 175.02 176.71 2c45 s ASP 94 N -2.63 6.77 0.65 3.03 2.15 -1.26 -1.32 116.67 124.05 2c45 s ASP 94 Ca 0.02 2.69 0.13 0.00 0.43 0.00 0.00 52.55 55.82 2c45 s ASP 94 Cb 0.03 -2.65 0.72 0.00 -0.30 0.00 0.00 42.92 40.71 2c45 s ASP 94 CO -0.09 -0.54 1.39 -0.78 -0.17 0.00 0.00 175.17 174.99 2c45 h ASP 95 N 3.37 0.00 0.26 -0.34 3.58 -1.12 -0.43 116.42 121.74 2c45 h ASP 95 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 2c45 h ASP 95 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2c45 h ASP 95 CO 0.65 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 176.89 2c45 h ALA 96 N 0.60 -0.34 -0.84 -0.78 0.00 -1.88 -3.19 119.26 112.83 2c45 h ALA 96 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2c45 h ALA 96 Cb 1.38 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 2c45 h ALA 96 CO 0.00 -0.32 0.47 0.00 0.00 0.00 0.00 179.25 179.40 2c45 h ARG 97 N -1.09 0.74 -0.86 0.00 2.47 -1.41 -2.24 114.38 111.99 2c45 h ARG 97 Ca -0.04 -0.04 0.16 0.00 -1.26 0.00 0.00 59.98 58.80 2c45 h ARG 97 Cb 0.27 -0.17 -0.16 0.00 -1.65 0.00 0.00 29.97 28.27 2c45 h ARG 97 CO 0.06 0.49 -0.29 0.00 0.56 0.00 0.00 179.97 180.79 2c45 h ALA 98 N 1.48 0.34 0.12 0.04 0.00 -1.42 -2.96 119.26 116.87 2c45 h ALA 98 Ca 0.42 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 2c45 h ALA 98 Cb 0.44 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2c45 h ALA 98 CO -0.27 -0.51 -0.14 0.00 0.00 0.00 0.00 179.25 178.33 2c45 h ARG 99 N -0.03 -0.25 -4.78 0.00 3.08 -1.38 -3.39 114.38 107.63 2c45 h ARG 99 Ca 0.37 0.02 -0.70 0.00 0.07 0.00 0.00 59.98 59.73 2c45 h ARG 99 Cb 0.61 0.06 -0.19 0.00 0.08 0.00 0.00 29.97 30.53 2c45 h ARG 99 CO -0.89 -0.17 -0.23 0.95 -1.07 0.00 0.00 179.97 178.57 2c45 s THR 100 N -3.75 5.11 -0.29 2.04 -4.23 -1.12 -5.01 115.64 108.39 2c45 s THR 100 Ca -0.05 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.84 2c45 s THR 100 Cb 0.01 -4.05 0.12 0.00 1.34 0.00 0.00 72.50 69.92 2c45 s THR 100 CO 0.16 -0.45 0.88 -0.47 -0.54 0.00 0.00 174.62 174.19 2c45 s TYR 101 N 2.07 -0.74 -0.47 3.99 6.04 -1.25 -4.77 117.35 122.21 2c45 s TYR 101 Ca 0.11 1.49 -0.15 0.00 0.04 0.00 0.00 57.07 58.55 2c45 s TYR 101 Cb -0.18 0.45 0.07 0.00 -1.04 0.00 0.00 41.96 41.26 2c45 s TYR 101 CO 0.12 -0.37 0.39 -0.65 -1.54 0.00 0.00 175.55 173.50 2c45 s GLN 102 N 1.46 2.97 0.17 4.97 -0.21 -1.26 -5.05 119.66 122.70 2c45 s GLN 102 Ca -0.09 -1.34 -0.31 0.00 0.02 0.00 0.00 55.36 53.64 2c45 s GLN 102 Cb -0.04 -4.11 -0.09 0.00 1.00 0.00 0.00 33.01 29.76 2c45 s GLN 102 CO -0.17 -1.01 1.49 -2.14 -2.12 0.00 0.00 175.29 171.34 2c45 s PRO 103 N 1.64 4.26 -0.83 2.91 0.02 -1.26 -4.89 135.00 136.84 2c45 s PRO 103 Ca 0.04 2.26 -0.25 0.00 0.02 0.00 0.00 61.00 63.07 2c45 s PRO 103 Cb -0.24 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 2c45 s PRO 103 CO 0.07 -0.51 1.92 1.03 -0.33 0.00 0.00 177.00 179.17 2c45 s ARG 104 N 0.80 2.58 -0.17 5.54 1.81 -0.24 -4.93 118.95 124.34 2c45 s ARG 104 Ca 0.66 -0.08 -0.12 0.00 -1.72 0.00 0.00 55.73 54.47 2c45 s ARG 104 Cb -0.41 -4.90 -0.05 0.00 -0.45 0.00 0.00 34.95 29.14 2c45 s ARG 104 CO 0.33 -3.21 0.24 0.42 -0.68 0.00 0.00 175.30 172.40 2c45 s ILE 105 N 9.78 5.34 -0.31 1.52 1.01 -1.26 -2.31 121.20 134.97 2c45 s ILE 105 Ca 0.69 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.78 2c45 s ILE 105 Cb -0.08 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.89 2c45 s ILE 105 CO 0.04 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.70 2c45 s VAL 106 N 0.40 2.51 0.48 2.92 1.01 -0.10 -4.99 120.40 122.64 2c45 s VAL 106 Ca 0.14 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.09 2c45 s VAL 106 Cb -0.12 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 2c45 s VAL 106 CO 0.02 -0.29 1.00 -0.36 0.00 0.00 0.00 175.10 175.47 2c45 s PHE 107 N 1.08 3.20 0.15 5.22 2.99 -1.26 -1.34 117.98 128.02 2c45 s PHE 107 Ca -0.00 1.56 0.02 0.00 0.00 0.00 0.00 56.93 58.51 2c45 s PHE 107 Cb -0.20 -2.93 -0.05 0.00 0.00 0.00 0.00 43.02 39.85 2c45 s PHE 107 CO -0.05 -0.50 -0.02 0.54 -0.00 0.00 0.00 175.22 175.19 2c45 s VAL 108 N -2.23 0.73 0.53 -0.44 0.11 -1.21 -3.99 120.40 113.90 2c45 s VAL 108 Ca 0.63 -1.98 -0.16 0.00 -2.93 0.00 0.00 61.98 57.54 2c45 s VAL 108 Cb -0.12 -1.99 -0.07 0.00 -1.53 0.00 0.00 36.38 32.66 2c45 s VAL 108 CO 0.21 -0.59 1.00 -0.62 -3.33 0.00 0.00 175.10 171.77 2c45 s ASP 109 N -3.14 6.50 0.00 3.54 -1.08 -1.26 -4.80 116.67 116.43 2c45 s ASP 109 Ca 0.20 1.59 0.02 0.00 -0.52 0.00 0.00 52.55 53.84 2c45 s ASP 109 Cb 0.06 -2.51 0.09 0.00 -1.46 0.00 0.00 42.92 39.09 2c45 s ASP 109 CO 0.02 -0.67 0.94 0.00 0.52 0.00 0.00 175.17 175.97 2c45 n ALA 110 N -1.71 1.21 0.06 3.66 0.00 -1.26 0.15 120.51 122.62 2c45 n ALA 110 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.52 2c45 n ALA 110 Cb 0.54 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.37 0.08 -2.24 0.00 0.53 -1.26 -4.89 117.16 108.01 2c45 n TYR 111 Ca 0.01 -0.24 -0.01 0.00 -1.02 0.00 0.00 57.90 56.64 2c45 n TYR 111 Cb 0.02 -0.02 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 0.05 -5.60 0.15 7.72 3.02 0.39 -4.58 115.26 116.42 2c45 n ASN 112 Ca 0.03 0.76 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 2c45 n ASN 112 Cb 0.20 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 0.27 0.00 0.00 3.52 5.02 -1.26 -4.51 118.16 121.20 2c45 n LYS 113 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2c45 n LYS 113 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20