#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 3.62 0.08 3.17 1.43 -1.26 -0.16 118.68 125.57 2c45 s LEU 2 Ca 0.00 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2c45 s LEU 2 Cb 0.00 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2c45 s LEU 2 CO 0.00 -0.15 0.07 -0.13 0.23 0.00 0.00 176.35 176.37 2c45 s ARG 3 N 1.48 2.85 -0.12 1.70 0.52 -0.40 -4.83 118.95 120.14 2c45 s ARG 3 Ca 0.03 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 2c45 s ARG 3 Cb -0.17 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 2c45 s ARG 3 CO 0.01 0.56 0.30 -0.08 0.02 0.00 0.00 175.30 176.11 2c45 s THR 4 N -1.39 5.27 0.04 0.02 -1.32 -1.26 0.25 115.64 117.25 2c45 s THR 4 Ca 0.29 0.58 -0.07 0.00 -1.21 0.00 0.00 61.69 61.28 2c45 s THR 4 Cb -0.12 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.24 2c45 s THR 4 CO 0.22 0.45 0.13 -0.04 -2.21 0.00 0.00 174.62 173.17 2c45 s MET 5 N 0.01 0.64 -0.28 7.08 1.00 -0.54 -4.88 119.30 122.33 2c45 s MET 5 Ca 0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 55.69 54.85 2c45 s MET 5 Cb -0.14 0.25 -0.07 0.00 0.00 0.00 0.00 34.83 34.88 2c45 s MET 5 CO 0.06 -0.17 2.24 -0.11 0.00 0.00 0.00 175.02 177.04 2c45 n LEU 6 N 0.69 2.90 -0.04 -0.03 7.94 -1.26 -1.56 117.00 125.65 2c45 n LEU 6 Ca -0.19 0.17 -0.21 0.00 -1.11 0.00 0.00 56.01 54.68 2c45 n LEU 6 Cb 0.59 -1.49 -0.13 0.00 0.53 0.00 0.00 43.42 42.91 2c45 n LEU 6 CO 0.23 -0.79 -0.96 1.17 -1.11 0.00 0.00 177.39 175.92 2c45 n LYS 7 N 8.68 0.72 -3.75 1.96 4.81 -0.05 -4.59 118.16 125.94 2c45 n LYS 7 Ca 0.33 0.24 -0.10 0.00 -0.87 0.00 0.00 58.31 57.92 2c45 n LYS 7 Cb 0.41 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.75 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 -6.90 -0.12 -0.30 3.14 1.04 -0.71 -1.49 113.70 108.37 2c45 s SER 8 Ca -0.26 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.52 2c45 s SER 8 Cb 0.07 0.46 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2c45 s SER 8 CO 0.71 -0.87 0.90 -0.75 0.98 0.00 0.00 173.24 174.21 2c45 s LYS 9 N -3.85 0.40 -0.50 4.02 2.20 -1.07 -1.46 119.74 119.48 2c45 s LYS 9 Ca 0.07 0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 56.38 2c45 s LYS 9 Cb 0.02 0.42 0.05 0.00 -1.51 0.00 0.00 37.83 36.81 2c45 s LYS 9 CO -0.08 -0.12 0.63 0.42 -0.36 0.00 0.00 175.35 175.84 2c45 s ILE 10 N 2.21 4.86 -0.33 5.43 1.01 -0.78 -0.85 121.20 132.75 2c45 s ILE 10 Ca -0.05 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.91 2c45 s ILE 10 Cb -0.07 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.12 2c45 s ILE 10 CO -0.17 -0.79 0.90 -2.28 0.00 0.00 0.00 174.94 172.59 2c45 s HIS 11 N 2.67 3.14 -0.89 3.97 2.46 0.16 -2.47 115.29 124.33 2c45 s HIS 11 Ca 0.16 0.86 -0.03 0.00 0.47 0.00 0.00 55.06 56.52 2c45 s HIS 11 Cb -0.19 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2c45 s HIS 11 CO 0.12 -0.71 0.38 0.54 -2.47 0.00 0.00 174.74 172.60 2c45 n ARG 12 N 6.56 -2.96 -2.49 2.88 1.74 -1.21 -3.15 116.66 118.03 2c45 n ARG 12 Ca 0.07 0.52 -0.34 0.00 -0.77 0.00 0.00 57.85 57.33 2c45 n ARG 12 Cb 0.48 -4.58 -0.03 0.00 -1.02 0.00 0.00 32.46 27.31 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 -2.92 2.86 -0.19 7.54 0.00 -1.11 -4.77 121.76 123.16 2c45 s ALA 13 Ca 0.19 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 2c45 s ALA 13 Cb -0.08 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2c45 s ALA 13 CO 0.23 -0.39 0.12 0.99 0.00 0.00 0.00 175.76 176.71 2c45 s THR 14 N -1.91 5.36 -0.44 0.00 2.01 -1.26 -1.72 115.64 117.68 2c45 s THR 14 Ca 0.68 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.58 2c45 s THR 14 Cb -0.18 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2c45 s THR 14 CO 0.22 0.45 2.20 -0.69 -0.69 0.00 0.00 174.62 176.11 2c45 s VAL 15 N 0.26 3.12 0.00 3.82 1.01 0.32 -4.72 120.40 124.23 2c45 s VAL 15 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2c45 s VAL 15 Cb -0.11 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2c45 s VAL 15 CO -0.01 -0.23 1.03 0.74 0.00 0.00 0.00 175.10 176.63 2c45 h THR 16 N 7.33 0.00 -3.77 3.92 2.02 -1.50 -1.97 112.91 118.94 2c45 h THR 16 Ca -0.29 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.75 2c45 h THR 16 Cb 1.23 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2c45 h THR 16 CO 1.11 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 176.90 2c45 s ALA 18 N -2.22 -2.47 -0.08 0.00 0.00 -1.26 -3.55 121.76 112.18 2c45 s ALA 18 Ca 0.03 2.11 -0.03 0.00 0.00 0.00 0.00 51.96 54.07 2c45 s ALA 18 Cb 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.32 2c45 s ALA 18 CO 0.02 -0.41 0.10 0.34 0.00 0.00 0.00 175.76 175.82 2c45 s ASP 19 N 1.36 1.18 0.17 0.00 2.15 -1.11 -4.98 116.67 115.43 2c45 s ASP 19 Ca -0.08 0.06 -0.15 0.00 0.43 0.00 0.00 52.55 52.81 2c45 s ASP 19 Cb -0.03 0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.64 2c45 s ASP 19 CO -0.14 -0.26 1.83 0.25 -0.17 0.00 0.00 175.17 176.68 2c45 h LEU 20 N 8.41 0.56-10.23 -1.34 5.85 -1.92 0.25 115.31 116.88 2c45 h LEU 20 Ca -0.13 -0.01 -0.50 0.00 0.84 0.00 0.00 57.88 58.08 2c45 h LEU 20 Cb 1.12 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 42.03 2c45 h LEU 20 CO 0.17 0.40 0.08 -1.00 -0.34 0.00 0.00 178.44 177.75 2c45 s HIS 21 N -6.15 3.52 0.25 1.25 3.76 -1.26 -2.96 115.29 113.70 2c45 s HIS 21 Ca -0.13 0.86 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 2c45 s HIS 21 Cb 0.12 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2c45 s HIS 21 CO 0.74 -0.16 0.00 0.98 -0.85 0.00 0.00 174.74 175.45 2c45 n TYR 22 N -1.79 -4.03 -3.98 1.40 9.36 -1.26 -4.55 117.16 112.31 2c45 n TYR 22 Ca 0.01 2.25 -0.31 0.00 3.32 0.00 0.00 57.90 63.17 2c45 n TYR 22 Cb 0.55 -3.35 -0.05 0.00 -0.63 0.00 0.00 39.34 35.86 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 -1.17 5.02 0.00 2.97 1.01 -1.26 -3.79 120.40 123.18 2c45 s VAL 23 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2c45 s VAL 23 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2c45 s VAL 23 CO 0.00 0.18 0.34 0.61 0.00 0.00 0.00 175.10 176.23 2c45 n GLY 24 N 0.51 0.35 7.00 4.51 0.00 -1.26 -5.01 105.19 111.29 2c45 n GLY 24 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.11 1.61 3.41 -1.22 -3.67 113.62 109.64 2c45 n SER 25 Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 2c45 n SER 25 Cb 0.33 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 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 2.03 -0.34 -3.33 1.01 -1.21 0.18 120.40 118.75 2c45 s VAL 26 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 2c45 s VAL 26 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2c45 s VAL 26 CO 0.00 0.53 0.25 0.42 0.00 0.00 0.00 175.10 176.30 2c45 s THR 27 N 1.30 5.27 -0.00 3.92 -4.23 -0.05 0.91 115.64 122.76 2c45 s THR 27 Ca 0.05 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2c45 s THR 27 Cb -0.13 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 2c45 s THR 27 CO -0.13 -0.00 0.03 -0.63 -0.54 0.00 0.00 174.62 173.35 2c45 s ILE 28 N 1.76 4.33 -0.11 2.99 1.01 0.35 -2.08 121.20 129.45 2c45 s ILE 28 Ca 0.07 -0.55 -0.37 0.00 0.00 0.00 0.00 60.65 59.80 2c45 s ILE 28 Cb -0.17 -2.95 -0.14 0.00 0.01 0.00 0.00 42.46 39.20 2c45 s ILE 28 CO 0.11 0.36 1.71 -0.67 0.00 0.00 0.00 174.94 176.45 2c45 n ASP 29 N 1.31 2.70 -0.39 3.58 -0.08 -0.49 0.25 116.55 123.42 2c45 n ASP 29 Ca -0.14 1.05 -0.05 0.00 -1.51 0.00 0.00 54.79 54.14 2c45 n ASP 29 Cb 0.53 -1.25 -0.02 0.00 2.34 0.00 0.00 41.12 42.71 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 7.32 -0.15 -0.95 -1.67 0.00 -1.46 0.56 119.26 122.91 2c45 h ALA 30 Ca -0.47 0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.89 2c45 h ALA 30 Cb 1.30 1.17 -0.13 0.00 0.00 0.00 0.00 17.79 20.13 2c45 h ALA 30 CO 0.92 -0.77 0.48 -0.44 0.00 0.00 0.00 179.25 179.44 2c45 h ASP 31 N -0.01 0.46 -0.63 0.00 3.32 -1.87 0.16 116.42 117.85 2c45 h ASP 31 Ca 0.26 0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.38 2c45 h ASP 31 Cb 0.52 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2c45 h ASP 31 CO -0.96 0.01 0.06 -0.07 -1.72 0.00 0.00 179.24 176.56 2c45 h LEU 32 N 0.45 1.03 -0.94 1.55 3.38 -0.25 0.26 115.31 120.79 2c45 h LEU 32 Ca 0.61 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 2c45 h LEU 32 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2c45 h LEU 32 CO -0.52 1.06 -0.25 0.24 0.09 0.00 0.00 178.44 179.06 2c45 h MET 33 N 0.98 0.49 0.01 1.13 2.86 -0.32 0.17 114.93 120.25 2c45 h MET 33 Ca 0.19 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2c45 h MET 33 Cb 0.49 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.13 2c45 h MET 33 CO 0.02 0.70 -0.42 -0.44 1.06 0.00 0.00 176.91 177.83 2c45 h ASP 34 N 0.43 0.35 -0.41 1.22 3.32 -1.13 2.63 116.42 122.84 2c45 h ASP 34 Ca 0.06 -0.79 0.05 0.00 0.02 0.00 0.00 57.03 56.37 2c45 h ASP 34 Cb 0.66 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2c45 h ASP 34 CO 0.05 1.10 0.13 0.00 -1.72 0.00 0.00 179.24 178.80 2c45 h ALA 35 N 0.26 0.47 -0.19 3.45 0.00 -0.41 -0.55 119.26 122.30 2c45 h ALA 35 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c45 h ALA 35 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2c45 h ALA 35 CO 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.07 2c45 n ALA 36 N -2.38 2.51 -3.10 0.00 0.00 0.60 -4.86 120.51 113.28 2c45 n ALA 36 Ca 0.03 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 2c45 n ALA 36 Cb 0.16 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 0.45 -6.91 -3.93 0.00 2.03 0.14 -4.66 116.55 103.66 2c45 n ASP 37 Ca 0.16 0.46 -0.16 0.00 0.52 0.00 0.00 54.79 55.78 2c45 n ASP 37 Cb 0.36 -3.41 -0.15 0.00 -0.72 0.00 0.00 41.12 37.20 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 -2.04 1.89 -0.11 -2.67 1.43 0.84 -4.88 118.68 113.14 2c45 s LEU 38 Ca 0.19 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2c45 s LEU 38 Cb -0.03 -0.25 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2c45 s LEU 38 CO 0.65 0.04 0.09 -0.76 0.23 0.00 0.00 176.35 176.60 2c45 s LEU 39 N 0.05 4.10 -0.18 1.79 1.43 -1.26 -4.53 118.68 120.08 2c45 s LEU 39 Ca -0.00 0.35 -0.35 0.00 -1.03 0.00 0.00 54.13 53.10 2c45 s LEU 39 Cb -0.04 -1.99 -0.12 0.00 0.03 0.00 0.00 46.19 44.08 2c45 s LEU 39 CO -0.00 0.40 1.93 1.21 0.23 0.00 0.00 176.35 180.11 2c45 n GLU 40 N 2.02 1.76 -0.85 1.70 2.13 -1.26 -3.32 120.64 122.81 2c45 n GLU 40 Ca -0.19 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2c45 n GLU 40 Cb 0.54 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 4.82 -1.69 3.64 8.31 0.00 0.37 -4.99 105.19 115.66 2c45 n GLY 41 Ca 0.27 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.07 0.38 0.09 1.61 2.12 -1.21 -4.85 118.70 116.77 2c45 s GLU 42 Ca 0.00 0.58 -0.31 0.00 0.36 0.00 0.00 54.97 55.61 2c45 s GLU 42 Cb 0.00 0.11 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 2c45 s GLU 42 CO 0.00 -0.07 1.90 0.94 -0.54 0.00 0.00 175.26 177.49 2c45 n GLN 43 N 3.16 2.85 -4.69 4.30 7.27 -1.26 -1.88 117.38 127.13 2c45 n GLN 43 Ca -0.16 1.04 -0.25 0.00 0.07 0.00 0.00 57.00 57.70 2c45 n GLN 43 Cb 0.57 -2.96 -0.14 0.00 2.41 0.00 0.00 30.24 30.11 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 3.47 1.50 -0.01 1.69 1.01 0.92 -4.63 120.40 124.35 2c45 s VAL 44 Ca 0.85 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2c45 s VAL 44 Cb -0.46 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2c45 s VAL 44 CO 0.39 0.25 0.01 -0.89 0.00 0.00 0.00 175.10 174.86 2c45 s THR 45 N -0.67 4.22 -0.03 3.92 2.01 0.12 -0.40 115.64 124.81 2c45 s THR 45 Ca 0.06 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.58 2c45 s THR 45 Cb -0.08 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 2c45 s THR 45 CO 0.01 0.41 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.52 2c45 s ILE 46 N -1.07 1.54 -0.08 1.82 1.01 -0.75 -0.25 121.20 123.42 2c45 s ILE 46 Ca 0.19 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 2c45 s ILE 46 Cb -0.12 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2c45 s ILE 46 CO 0.09 0.44 -0.04 0.68 0.00 0.00 0.00 174.94 176.11 2c45 s VAL 47 N -0.23 0.67 -0.48 2.92 -7.23 -0.22 -2.12 120.40 113.71 2c45 s VAL 47 Ca 0.02 -0.10 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 2c45 s VAL 47 Cb -0.10 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.14 2c45 s VAL 47 CO 0.01 0.29 0.73 -0.62 -0.31 0.00 0.00 175.10 175.20 2c45 s ASP 48 N 1.57 6.32 0.37 4.85 3.68 -1.00 0.16 116.67 132.62 2c45 s ASP 48 Ca 0.00 -0.42 0.04 0.00 2.13 0.00 0.00 52.55 54.30 2c45 s ASP 48 Cb -0.13 -2.35 0.71 0.00 -1.45 0.00 0.00 42.92 39.70 2c45 s ASP 48 CO -0.04 -0.92 2.01 0.40 0.13 0.00 0.00 175.17 176.75 2c45 h ILE 49 N 5.92 1.12 -0.00 4.11 5.03 -0.35 0.76 117.51 134.10 2c45 h ILE 49 Ca -0.26 -0.27 -0.12 0.00 -0.12 0.00 0.00 64.86 64.10 2c45 h ILE 49 Cb 1.09 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.14 2c45 h ILE 49 CO 0.96 0.14 -0.55 0.44 -0.68 0.00 0.00 178.15 178.46 2c45 h ASP 50 N 0.77 0.01 0.00 1.72 5.19 -1.93 -3.37 116.42 118.82 2c45 h ASP 50 Ca 0.23 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.51 2c45 h ASP 50 Cb -0.01 -0.00 -0.27 0.00 0.18 0.00 0.00 39.33 39.22 2c45 h ASP 50 CO -0.06 0.56 -0.86 -0.46 -3.12 0.00 0.00 179.24 175.31 2c45 n ASN 51 N -3.88 0.65 -2.03 6.45 0.23 -1.01 -5.04 115.26 110.62 2c45 n ASN 51 Ca -0.01 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.58 52.00 2c45 n ASN 51 Cb 0.56 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.34 -0.18 3.79 4.83 0.00 0.26 -4.94 105.19 109.29 2c45 n GLY 52 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.96 2.40 -0.14 4.61 0.00 -1.24 -4.79 121.76 120.64 2c45 s ALA 53 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 2c45 s ALA 53 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.97 2c45 s ALA 53 CO 0.00 -1.56 0.27 1.03 0.00 0.00 0.00 175.76 175.50 2c45 s ARG 54 N -4.98 0.16 0.24 0.00 0.52 -1.26 -2.38 118.95 111.26 2c45 s ARG 54 Ca 0.60 0.72 0.06 0.00 -0.52 0.00 0.00 55.73 56.59 2c45 s ARG 54 Cb -0.16 -0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 2c45 s ARG 54 CO 0.56 -0.32 -0.07 -0.51 0.02 0.00 0.00 175.30 174.98 2c45 s LEU 55 N 2.43 2.44 -0.13 2.53 1.43 -0.90 -4.97 118.68 121.50 2c45 s LEU 55 Ca 0.02 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 51.96 2c45 s LEU 55 Cb -0.12 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.60 2c45 s LEU 55 CO -0.09 -0.34 0.01 -0.69 0.23 0.00 0.00 176.35 175.47 2c45 s VAL 56 N -3.12 0.50 0.31 -1.59 1.01 -1.26 -1.81 120.40 114.44 2c45 s VAL 56 Ca 0.26 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2c45 s VAL 56 Cb 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2c45 s VAL 56 CO 0.09 0.05 0.61 0.28 0.00 0.00 0.00 175.10 176.13 2c45 s THR 57 N 1.90 0.00 0.72 3.92 -1.32 0.46 -4.94 115.64 116.38 2c45 s THR 57 Ca 0.02 -1.26 -0.08 0.00 -1.21 0.00 0.00 61.69 59.17 2c45 s THR 57 Cb -0.14 -2.42 0.06 0.00 -1.51 0.00 0.00 72.50 68.48 2c45 s THR 57 CO -0.07 0.00 1.04 -0.72 -2.21 0.00 0.00 174.62 172.66 2c45 s TYR 58 N -3.36 2.95 0.07 9.09 1.13 -1.26 0.31 117.35 126.28 2c45 s TYR 58 Ca 0.20 0.52 0.06 0.00 -1.41 0.00 0.00 57.07 56.44 2c45 s TYR 58 Cb -0.03 -3.22 -0.04 0.00 -1.10 0.00 0.00 41.96 37.57 2c45 s TYR 58 CO 0.11 -1.44 -0.09 0.00 -2.51 0.00 0.00 175.55 171.62 2c45 s ALA 59 N -3.29 2.95 -0.09 9.51 0.00 -0.79 -3.32 121.76 126.73 2c45 s ALA 59 Ca 0.60 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2c45 s ALA 59 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2c45 s ALA 59 CO 0.46 0.63 -0.16 0.42 0.00 0.00 0.00 175.76 177.11 2c45 s ILE 60 N -1.13 1.46 0.01 0.00 1.01 0.26 -0.48 121.20 122.33 2c45 s ILE 60 Ca 0.20 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 2c45 s ILE 60 Cb -0.11 -1.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.97 2c45 s ILE 60 CO 0.11 0.43 1.73 -0.89 0.00 0.00 0.00 174.94 176.32 2c45 s THR 61 N 0.77 3.24 0.50 2.92 2.01 -1.26 0.13 115.64 123.95 2c45 s THR 61 Ca -0.11 0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.42 2c45 s THR 61 Cb -0.16 -3.30 0.07 0.00 0.01 0.00 0.00 72.50 69.12 2c45 s THR 61 CO 0.02 -0.03 0.56 0.61 -0.69 0.00 0.00 174.62 175.09 2c45 n GLY 62 N 4.18 2.31 3.77 4.40 0.00 0.69 -4.76 105.19 115.78 2c45 n GLY 62 Ca 0.17 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.17 3.41 0.52 1.61 2.12 -1.26 -1.90 118.70 119.03 2c45 s GLU 63 Ca 0.42 1.72 -0.21 0.00 0.36 0.00 0.00 54.97 57.26 2c45 s GLU 63 Cb -0.03 -2.12 -0.06 0.00 0.26 0.00 0.00 34.13 32.17 2c45 s GLU 63 CO 0.27 -0.83 1.13 1.03 -0.54 0.00 0.00 175.26 176.33 2c45 s ARG 64 N -3.10 3.50 0.00 4.30 0.52 -1.26 -3.63 118.95 119.28 2c45 s ARG 64 Ca 0.71 1.64 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 2c45 s ARG 64 Cb -0.27 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2c45 s ARG 64 CO 0.31 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.30 2c45 n GLY 65 N 0.22 0.24 0.07 -3.53 0.00 -1.26 -4.61 105.19 96.32 2c45 n GLY 65 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 0.29 -3.56 1.61 3.41 -1.24 -4.81 113.62 109.33 2c45 n SER 66 Ca 0.00 0.61 -0.26 0.00 -0.26 0.00 0.00 58.87 58.96 2c45 n SER 66 Cb 0.00 -0.66 0.01 0.00 -0.26 0.00 0.00 64.21 63.30 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 -0.93 -0.49 3.76 5.00 0.00 -1.26 -4.90 105.19 106.37 2c45 n GLY 67 Ca 0.00 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.12 3.44 -0.50 1.61 1.01 -1.26 -4.73 120.40 116.84 2c45 s VAL 68 Ca 0.50 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.93 2c45 s VAL 68 Cb -0.25 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.46 2c45 s VAL 68 CO 0.62 0.28 0.67 -0.63 0.00 0.00 0.00 175.10 176.04 2c45 s ILE 69 N -1.25 -0.80 0.09 2.22 1.01 -1.22 -1.39 121.20 119.86 2c45 s ILE 69 Ca 0.47 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.93 2c45 s ILE 69 Cb -0.31 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2c45 s ILE 69 CO 0.40 -0.18 0.09 -0.83 0.00 0.00 0.00 174.94 174.41 2c45 s GLY 70 N 0.77 2.00 -0.37 6.18 0.00 -0.88 -1.34 107.32 113.67 2c45 s GLY 70 Ca 0.30 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 2c45 s GLY 70 CO -0.07 -1.01 0.13 -0.42 0.00 0.00 0.00 173.10 171.73 2c45 s ILE 71 N -1.42 3.06 -0.22 0.90 1.01 -1.23 -0.87 121.20 122.42 2c45 s ILE 71 Ca 0.30 -1.93 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 2c45 s ILE 71 Cb -0.12 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2c45 s ILE 71 CO 0.22 -0.53 0.45 0.20 0.00 0.00 0.00 174.94 175.28 2c45 s ASN 72 N 1.54 6.45 0.40 3.58 -0.87 0.48 -2.76 114.94 123.76 2c45 s ASN 72 Ca 0.05 0.53 0.00 0.00 -1.57 0.00 0.00 52.86 51.87 2c45 s ASN 72 Cb -0.21 -2.26 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 2c45 s ASN 72 CO -0.04 -0.16 0.00 0.61 -2.57 0.00 0.00 177.10 174.94 2c45 n GLY 73 N 4.11 -3.75 5.00 0.66 0.00 0.88 -3.38 105.19 108.71 2c45 n GLY 73 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.44 0.00 0.20 4.61 0.00 -1.25 -3.81 120.51 119.81 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 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.30 0.00 0.00 -1.26 -0.88 120.51 119.99 2c45 n ALA 75 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.59 2c45 n ALA 75 Cb 0.00 -1.08 0.93 0.00 0.00 0.00 0.00 19.45 19.30 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 2.20 1.17 -3.53 0.00 0.00 -1.76 -2.93 119.26 114.41 2c45 h ALA 76 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2c45 h ALA 76 Cb 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2c45 h ALA 76 CO 0.00 0.05 0.01 0.72 0.00 0.00 0.00 179.25 180.03 2c45 n HIS 77 N -3.38 -3.53 0.00 0.00 8.25 -0.06 -4.44 115.22 112.05 2c45 n HIS 77 Ca -0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2c45 n HIS 77 Cb 0.17 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -4.60 2.41 4.77 -1.26 -4.62 117.00 113.70 2c45 n LEU 78 Ca 0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2c45 n LEU 78 Cb 0.03 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2c45 n LEU 78 CO 0.02 0.00 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.09 2c45 s VAL 79 N 0.00 4.37 0.30 4.08 1.01 -1.10 -4.76 120.40 124.29 2c45 s VAL 79 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2c45 s VAL 79 Cb 0.00 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2c45 s VAL 79 CO 0.00 0.51 -0.00 -1.00 0.00 0.00 0.00 175.10 174.61 2c45 s HIS 80 N 0.07 1.93 0.75 5.22 3.76 -1.26 -4.46 115.29 121.30 2c45 s HIS 80 Ca 0.03 -0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 53.97 2c45 s HIS 80 Cb -0.13 -1.18 0.05 0.00 1.11 0.00 0.00 32.58 32.43 2c45 s HIS 80 CO 0.02 0.14 1.16 -2.14 -0.85 0.00 0.00 174.74 173.07 2c45 s PRO 81 N -3.81 2.08 0.00 8.40 0.02 -1.26 -2.48 135.00 137.95 2c45 s PRO 81 Ca 0.32 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2c45 s PRO 81 Cb 0.06 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.74 2c45 s PRO 81 CO 0.13 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 2c45 n GLY 82 N -0.02 0.46 3.81 0.52 0.00 -0.74 -4.92 105.19 104.31 2c45 n GLY 82 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.27 6.64 -0.31 1.61 1.11 -1.03 -4.83 116.67 117.59 2c45 s ASP 83 Ca 0.00 0.76 -0.21 0.00 0.18 0.00 0.00 52.55 53.28 2c45 s ASP 83 Cb 0.00 -2.20 -0.00 0.00 1.07 0.00 0.00 42.92 41.78 2c45 s ASP 83 CO 0.00 0.27 0.68 -0.76 1.18 0.00 0.00 175.17 176.53 2c45 s LEU 84 N -0.59 4.14 0.49 1.23 1.43 -1.26 -0.52 118.68 123.60 2c45 s LEU 84 Ca 0.21 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 2c45 s LEU 84 Cb -0.15 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2c45 s LEU 84 CO 0.09 -0.54 0.04 0.68 0.23 0.00 0.00 176.35 176.85 2c45 s VAL 85 N 2.73 0.97 -0.02 -1.59 -7.23 -0.70 0.44 120.40 115.00 2c45 s VAL 85 Ca 0.27 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2c45 s VAL 85 Cb -0.15 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2c45 s VAL 85 CO 0.12 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.21 2c45 s ILE 86 N -2.97 0.65 -0.13 -0.62 1.01 0.12 -2.77 121.20 116.49 2c45 s ILE 86 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2c45 s ILE 86 Cb 0.01 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 2c45 s ILE 86 CO 0.06 0.20 -0.01 -0.76 0.00 0.00 0.00 174.94 174.42 2c45 s LEU 87 N 0.06 3.44 0.01 2.97 1.43 -1.03 -1.05 118.68 124.50 2c45 s LEU 87 Ca -0.01 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2c45 s LEU 87 Cb -0.06 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2c45 s LEU 87 CO -0.00 0.24 -0.07 -0.63 0.23 0.00 0.00 176.35 176.13 2c45 s ILE 88 N -0.07 0.50 -0.07 -0.59 1.01 0.65 -1.87 121.20 120.76 2c45 s ILE 88 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2c45 s ILE 88 Cb -0.13 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.92 2c45 s ILE 88 CO 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 174.94 174.98 2c45 s ALA 89 N -0.38 0.80 0.42 9.38 0.00 -0.53 0.12 121.76 131.56 2c45 s ALA 89 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2c45 s ALA 89 Cb -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2c45 s ALA 89 CO -0.00 -0.38 0.00 0.66 0.00 0.00 0.00 175.76 176.04 2c45 n TYR 90 N 4.93 0.00 0.00 0.00 4.02 -1.26 -0.87 117.16 123.98 2c45 n TYR 90 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 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 -1.77 -0.72 0.00 -0.60 -4.28 120.51 110.14 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 -0.03 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 3.21 0.10 0.00 -4.23 -1.26 -1.46 115.64 111.99 2c45 s THR 92 Ca 0.00 1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 2c45 s THR 92 Cb 0.00 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2c45 s THR 92 CO 0.00 0.13 0.19 -0.04 -0.54 0.00 0.00 174.62 174.36 2c45 s MET 93 N -2.13 0.89 0.24 3.99 -1.94 0.14 -4.92 119.30 115.57 2c45 s MET 93 Ca 0.54 -1.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.20 2c45 s MET 93 Cb -0.31 0.34 -0.09 0.00 2.01 0.00 0.00 34.83 36.77 2c45 s MET 93 CO 0.40 -0.28 1.28 0.34 -0.01 0.00 0.00 175.02 176.74 2c45 s ASP 94 N -2.89 6.92 0.52 3.03 2.15 -1.26 -1.27 116.67 123.87 2c45 s ASP 94 Ca 0.08 2.45 0.06 0.00 0.43 0.00 0.00 52.55 55.57 2c45 s ASP 94 Cb 0.05 -2.62 0.31 0.00 -0.30 0.00 0.00 42.92 40.35 2c45 s ASP 94 CO -0.09 -0.48 1.08 -0.78 -0.17 0.00 0.00 175.17 174.74 2c45 h ASP 95 N 4.67 0.00 0.18 -0.34 3.58 -0.92 0.01 116.42 123.59 2c45 h ASP 95 Ca -0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2c45 h ASP 95 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2c45 h ASP 95 CO 0.73 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 177.00 2c45 h ALA 96 N 0.32 -0.29 -0.91 -0.78 0.00 -1.88 -3.13 119.26 112.59 2c45 h ALA 96 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2c45 h ALA 96 Cb 1.50 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 2c45 h ALA 96 CO 0.00 -0.27 0.53 0.00 0.00 0.00 0.00 179.25 179.51 2c45 h ARG 97 N -0.84 0.77 -0.90 0.00 2.47 -1.35 -1.80 114.38 112.74 2c45 h ARG 97 Ca -0.02 -0.05 0.13 0.00 -1.26 0.00 0.00 59.98 58.78 2c45 h ARG 97 Cb 0.18 -0.17 -0.14 0.00 -1.65 0.00 0.00 29.97 28.18 2c45 h ARG 97 CO 0.04 0.51 -0.41 0.00 0.56 0.00 0.00 179.97 180.67 2c45 h ALA 98 N 1.54 0.01 0.16 0.04 0.00 -1.35 -2.79 119.26 116.87 2c45 h ALA 98 Ca 0.47 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2c45 h ALA 98 Cb 0.57 1.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2c45 h ALA 98 CO -0.31 -0.69 -0.29 0.00 0.00 0.00 0.00 179.25 177.97 2c45 h ARG 99 N -0.05 -0.46 -4.46 0.00 3.08 -1.26 -3.38 114.38 107.84 2c45 h ARG 99 Ca 0.29 0.03 -0.72 0.00 0.07 0.00 0.00 59.98 59.65 2c45 h ARG 99 Cb 0.57 0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.51 2c45 h ARG 99 CO -0.91 -0.31 -0.36 0.95 -1.07 0.00 0.00 179.97 178.27 2c45 s THR 100 N -4.54 5.23 -0.28 2.04 -4.23 -1.05 -5.02 115.64 107.78 2c45 s THR 100 Ca -0.09 -0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 2c45 s THR 100 Cb 0.03 -4.03 0.11 0.00 1.34 0.00 0.00 72.50 69.95 2c45 s THR 100 CO 0.33 -0.44 0.86 -0.47 -0.54 0.00 0.00 174.62 174.36 2c45 s TYR 101 N 1.73 -0.75 -0.41 3.99 6.04 -1.25 -4.79 117.35 121.91 2c45 s TYR 101 Ca 0.05 1.58 -0.12 0.00 0.04 0.00 0.00 57.07 58.62 2c45 s TYR 101 Cb -0.21 0.44 0.04 0.00 -1.04 0.00 0.00 41.96 41.19 2c45 s TYR 101 CO 0.09 -0.37 0.27 -0.65 -1.54 0.00 0.00 175.55 173.35 2c45 s GLN 102 N 1.12 2.84 0.13 4.97 -0.21 -1.26 -5.06 119.66 122.18 2c45 s GLN 102 Ca -0.06 -1.20 -0.31 0.00 0.02 0.00 0.00 55.36 53.81 2c45 s GLN 102 Cb -0.05 -3.87 -0.08 0.00 1.00 0.00 0.00 33.01 30.01 2c45 s GLN 102 CO -0.13 -0.82 1.42 -2.14 -2.12 0.00 0.00 175.29 171.50 2c45 s PRO 103 N 1.57 4.30 -1.00 2.91 0.02 -1.26 -4.89 135.00 136.65 2c45 s PRO 103 Ca 0.03 2.13 -0.24 0.00 0.02 0.00 0.00 61.00 62.94 2c45 s PRO 103 Cb -0.21 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 31.01 2c45 s PRO 103 CO 0.06 -0.46 2.00 1.03 -0.33 0.00 0.00 177.00 179.30 2c45 s ARG 104 N 1.05 2.35 -0.10 5.54 1.81 -0.55 -4.92 118.95 124.12 2c45 s ARG 104 Ca 0.65 -0.53 -0.17 0.00 -1.72 0.00 0.00 55.73 53.96 2c45 s ARG 104 Cb -0.38 -5.09 -0.05 0.00 -0.45 0.00 0.00 34.95 28.98 2c45 s ARG 104 CO 0.31 -3.83 0.44 0.42 -0.68 0.00 0.00 175.30 171.96 2c45 s ILE 105 N 11.30 5.17 -0.28 1.52 1.01 -1.26 -2.58 121.20 136.08 2c45 s ILE 105 Ca 0.72 0.87 0.03 0.00 0.00 0.00 0.00 60.65 62.28 2c45 s ILE 105 Cb -0.05 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.72 2c45 s ILE 105 CO 0.06 0.38 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 2c45 s VAL 106 N 0.28 2.15 0.52 2.92 1.01 -0.03 -4.98 120.40 122.27 2c45 s VAL 106 Ca 0.24 -1.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.24 2c45 s VAL 106 Cb -0.15 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 2c45 s VAL 106 CO 0.10 -0.19 1.02 -0.36 0.00 0.00 0.00 175.10 175.67 2c45 s PHE 107 N 1.07 3.11 0.12 5.22 2.99 -1.26 -0.66 117.98 128.57 2c45 s PHE 107 Ca -0.03 1.54 0.01 0.00 0.00 0.00 0.00 56.93 58.45 2c45 s PHE 107 Cb -0.20 -2.97 -0.04 0.00 0.00 0.00 0.00 43.02 39.81 2c45 s PHE 107 CO -0.06 -0.74 -0.02 0.54 -0.00 0.00 0.00 175.22 174.94 2c45 s VAL 108 N -2.26 0.51 0.60 -0.44 0.11 -1.19 -3.96 120.40 113.77 2c45 s VAL 108 Ca 0.64 -1.93 -0.13 0.00 -2.93 0.00 0.00 61.98 57.63 2c45 s VAL 108 Cb -0.14 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.80 2c45 s VAL 108 CO 0.26 -0.69 1.02 -0.62 -3.33 0.00 0.00 175.10 171.74 2c45 s ASP 109 N -3.07 6.20 0.00 3.54 -1.08 -1.26 -4.78 116.67 116.22 2c45 s ASP 109 Ca 0.17 1.53 0.01 0.00 -0.52 0.00 0.00 52.55 53.74 2c45 s ASP 109 Cb 0.06 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 39.10 2c45 s ASP 109 CO -0.02 -0.89 0.98 0.00 0.52 0.00 0.00 175.17 175.77 2c45 n ALA 110 N -2.38 1.14 -0.02 3.66 0.00 -1.26 0.11 120.51 121.75 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 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.43 0.11 -2.34 0.00 0.53 -1.26 -4.89 117.16 107.88 2c45 n TYR 111 Ca 0.00 -0.43 -0.02 0.00 -1.02 0.00 0.00 57.90 56.43 2c45 n TYR 111 Cb 0.02 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.29 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 -0.17 -5.98 0.18 7.72 3.02 0.30 -4.59 115.26 115.73 2c45 n ASN 112 Ca 0.03 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 2c45 n ASN 112 Cb 0.27 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 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 0.17 0.00 0.00 3.52 5.02 -1.26 -4.50 118.16 121.10 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 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20