#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ear s VAL 2 N 0.00 5.31 -0.30 3.17 1.01 -1.26 -1.59 120.40 126.74 1ear s VAL 2 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 1ear s VAL 2 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ear s VAL 2 CO 0.00 0.33 0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1ear s ILE 3 N 1.04 4.17 -1.01 2.22 -1.09 0.27 -4.95 121.20 121.84 1ear s ILE 3 Ca 0.12 -0.58 0.14 0.00 -2.23 0.00 0.00 60.65 58.10 1ear s ILE 3 Cb -0.14 -3.12 -0.07 0.00 -1.58 0.00 0.00 42.46 37.55 1ear s ILE 3 CO 0.05 0.10 0.69 0.35 -1.23 0.00 0.00 174.94 174.90 1ear n THR 4 N 4.90 0.00 -3.61 2.92 -2.24 -1.26 -0.35 114.28 114.65 1ear n THR 4 Ca -0.14 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.20 1ear n THR 4 Cb 0.49 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 1ear n THR 4 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ear s LYS 5 N -1.99 0.91 0.29 -0.78 -2.85 -1.26 -1.14 119.74 112.91 1ear s LYS 5 Ca 0.09 0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.91 1ear s LYS 5 Cb 0.11 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.21 1ear s LYS 5 CO 0.45 -0.27 0.92 0.42 0.10 0.00 0.00 175.35 176.97 1ear s ILE 6 N -1.18 4.20 -0.22 3.79 -1.09 -1.26 -4.88 121.20 120.55 1ear s ILE 6 Ca -0.11 1.86 0.02 0.00 -2.23 0.00 0.00 60.65 60.19 1ear s ILE 6 Cb -0.02 -4.10 0.07 0.00 -1.58 0.00 0.00 42.46 36.83 1ear s ILE 6 CO 0.08 0.27 1.01 1.33 -1.23 0.00 0.00 174.94 176.39 1ear n VAL 7 N 0.88 0.89 -0.56 2.92 0.24 -0.36 -5.04 118.33 117.30 1ear n VAL 7 Ca 0.00 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1ear n VAL 7 Cb 0.49 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1ear n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ear n GLY 8 N -0.22 -1.73 3.33 7.63 0.00 -1.23 -4.96 105.19 108.00 1ear n GLY 8 Ca 0.03 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1ear n GLY 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ear s HIS 9 N -2.17 -0.60 -0.49 1.61 2.46 -1.26 -0.68 115.29 114.16 1ear s HIS 9 Ca 0.00 1.32 -0.27 0.00 0.47 0.00 0.00 55.06 56.58 1ear s HIS 9 Cb 0.00 0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.74 1ear s HIS 9 CO 0.00 -0.32 1.05 0.42 -2.47 0.00 0.00 174.74 173.42 1ear s ILE 10 N 0.98 4.29 -0.03 0.89 1.01 0.05 -4.91 121.20 123.49 1ear s ILE 10 Ca -0.06 0.91 0.13 0.00 0.00 0.00 0.00 60.65 61.63 1ear s ILE 10 Cb -0.06 -4.55 -0.18 0.00 0.01 0.00 0.00 42.46 37.67 1ear s ILE 10 CO -0.08 -1.01 0.89 0.44 0.00 0.00 0.00 174.94 175.18 1ear h ASP 11 N 9.23 0.00 -2.58 3.58 3.32 -1.98 -3.44 116.42 124.56 1ear h ASP 11 Ca -0.24 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.43 1ear h ASP 11 Cb 1.07 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.25 1ear h ASP 11 CO 1.10 0.87 -0.68 -0.62 -1.72 0.00 0.00 179.24 178.19 1ear s ASP 12 N -6.18 2.00 0.22 6.45 3.68 -1.26 -5.04 116.67 116.54 1ear s ASP 12 Ca -0.02 -0.60 -0.08 0.00 2.13 0.00 0.00 52.55 53.97 1ear s ASP 12 Cb 0.09 0.17 0.27 0.00 -1.45 0.00 0.00 42.92 41.99 1ear s ASP 12 CO 0.81 -0.36 1.82 0.25 0.13 0.00 0.00 175.17 177.82 1ear h LEU 13 N 8.34 0.62 -1.96 -1.34 5.85 -1.97 -2.29 115.31 122.56 1ear h LEU 13 Ca -0.16 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1ear h LEU 13 Cb 1.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1ear h LEU 13 CO 0.32 0.40 0.12 0.77 -0.34 0.00 0.00 178.44 179.71 1ear h SER 14 N 0.75 0.05 0.70 1.25 4.64 -2.01 -2.07 113.55 116.86 1ear h SER 14 Ca 0.32 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ear h SER 14 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ear h SER 14 CO -0.18 0.03 -0.65 1.41 -0.87 0.00 0.00 176.83 176.57 1ear n HIS 15 N -4.50 0.35 -1.72 4.77 8.25 -0.89 -4.92 115.22 116.55 1ear n HIS 15 Ca 0.01 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 1ear n HIS 15 Cb 0.21 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 1ear n HIS 15 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ear n GLN 16 N -1.91 2.69 -0.02 -0.41 1.13 -0.78 -4.92 117.38 113.17 1ear n GLN 16 Ca 0.04 0.96 -0.09 0.00 -1.94 0.00 0.00 57.00 55.97 1ear n GLN 16 Cb 0.41 -2.78 -0.14 0.00 0.11 0.00 0.00 30.24 27.84 1ear n GLN 16 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1ear h ILE 17 N 3.59 0.86 -4.11 5.09 1.08 -1.91 -3.48 117.51 118.64 1ear h ILE 17 Ca -0.45 -2.71 -0.49 0.00 -0.39 0.00 0.00 64.86 60.83 1ear h ILE 17 Cb 1.22 2.44 0.03 0.00 -3.07 0.00 0.00 36.82 37.44 1ear h ILE 17 CO 0.88 0.53 0.32 -0.54 -0.69 0.00 0.00 178.15 178.66 1ear s LYS 18 N -2.60 3.77 0.34 2.37 1.02 -1.26 -5.02 119.74 118.35 1ear s LYS 18 Ca -0.06 0.73 -0.28 0.00 0.02 0.00 0.00 55.97 56.38 1ear s LYS 18 Cb 0.08 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 1ear s LYS 18 CO 0.82 -0.33 1.28 0.21 -0.92 0.00 0.00 175.35 176.42 1ear s LYS 19 N -4.47 4.34 -0.20 1.68 2.20 -0.37 -4.81 119.74 118.10 1ear s LYS 19 Ca 0.55 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 58.30 1ear s LYS 19 Cb -0.10 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1ear s LYS 19 CO 0.40 -0.18 -0.10 0.08 -0.36 0.00 0.00 175.35 175.19 1ear s VAL 20 N -1.17 2.94 -0.37 4.02 1.01 -1.26 -0.24 120.40 125.33 1ear s VAL 20 Ca 0.50 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1ear s VAL 20 Cb -0.38 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1ear s VAL 20 CO 0.51 0.47 0.23 -0.62 0.00 0.00 0.00 175.10 175.68 1ear s ASP 21 N 1.32 5.84 0.15 3.32 2.15 0.84 -4.97 116.67 125.32 1ear s ASP 21 Ca 0.04 -0.86 -0.14 0.00 0.43 0.00 0.00 52.55 52.02 1ear s ASP 21 Cb -0.14 -2.07 -0.07 0.00 -0.30 0.00 0.00 42.92 40.34 1ear s ASP 21 CO -0.05 -0.37 0.55 0.26 -0.17 0.00 0.00 175.17 175.39 1ear s TRP 22 N 1.61 3.60 -0.44 -5.34 0.52 -1.26 -2.54 118.94 115.10 1ear s TRP 22 Ca 0.03 1.06 -0.07 0.00 0.02 0.00 0.00 56.10 57.14 1ear s TRP 22 Cb -0.19 -2.37 0.11 0.00 -1.15 0.00 0.00 33.47 29.87 1ear s TRP 22 CO 0.08 0.43 0.28 -1.17 0.02 0.00 0.00 176.95 176.58 1ear s LEU 23 N -1.97 5.40 -0.24 2.99 2.96 0.63 -0.52 118.68 127.92 1ear s LEU 23 Ca 0.38 -1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 52.27 1ear s LEU 23 Cb -0.15 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1ear s LEU 23 CO 0.19 -0.60 0.52 -0.70 -1.32 0.00 0.00 176.35 174.44 1ear s GLU 24 N 1.31 4.12 0.45 1.98 2.12 -1.26 -2.16 118.70 125.26 1ear s GLU 24 Ca 0.05 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1ear s GLU 24 Cb -0.24 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 1ear s GLU 24 CO -0.01 -0.27 0.04 0.14 -0.54 0.00 0.00 175.26 174.61 1ear s VAL 25 N 2.05 1.23 0.56 3.70 -7.23 -0.49 -4.86 120.40 115.36 1ear s VAL 25 Ca 0.22 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1ear s VAL 25 Cb -0.15 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1ear s VAL 25 CO 0.09 0.00 0.96 -1.61 -0.31 0.00 0.00 175.10 174.23 1ear s GLU 26 N -3.81 3.69 0.24 4.82 0.41 -1.26 -1.05 118.70 121.73 1ear s GLU 26 Ca 0.19 0.69 -0.05 0.00 -0.41 0.00 0.00 54.97 55.38 1ear s GLU 26 Cb 0.04 -2.16 0.38 0.00 -1.78 0.00 0.00 34.13 30.61 1ear s GLU 26 CO 0.10 -0.40 1.79 2.35 -0.49 0.00 0.00 175.26 178.61 1ear h TRP 27 N 0.18 0.74 0.00 1.61 7.01 -1.93 -0.46 115.95 123.10 1ear h TRP 27 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 1ear h TRP 27 Cb 1.19 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 1ear h TRP 27 CO 0.64 0.28 -0.08 0.93 -2.79 0.00 0.00 178.44 177.42 1ear h GLU 28 N 0.68 0.00 0.00 2.65 3.07 -1.98 -2.50 114.58 116.51 1ear h GLU 28 Ca 0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1ear h GLU 28 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1ear h GLU 28 CO -0.27 0.08 -0.03 -0.44 -1.40 0.00 0.00 179.01 176.95 1ear h ASP 29 N 0.00 0.00 0.58 1.42 3.32 -1.45 -2.39 116.42 117.90 1ear h ASP 29 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ear h ASP 29 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ear h ASP 29 CO 0.01 0.03 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.47 1ear h LEU 30 N 0.00 0.00 -1.80 1.55 3.38 -1.52 -1.49 115.31 115.43 1ear h LEU 30 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ear h LEU 30 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ear h LEU 30 CO 0.00 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1ear n ASN 31 N -3.16 2.64 -4.70 -0.43 3.02 -0.90 -3.39 115.26 108.34 1ear n ASN 31 Ca -0.01 -1.93 -0.27 0.00 -0.03 0.00 0.00 54.58 52.34 1ear n ASN 31 Cb 0.22 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1ear n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ear s LYS 32 N -1.46 2.53 0.00 3.52 1.02 -0.56 -5.00 119.74 119.79 1ear s LYS 32 Ca 0.35 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1ear s LYS 32 Cb 0.19 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1ear s LYS 32 CO 0.26 0.47 0.71 2.89 -0.92 0.00 0.00 175.35 178.76 1ear n ARG 33 N -0.15 0.39 -3.87 1.68 1.85 -1.26 -4.64 116.66 110.67 1ear n ARG 33 Ca -0.09 -0.93 -0.25 0.00 -1.00 0.00 0.00 57.85 55.58 1ear n ARG 33 Cb 0.55 -1.05 -0.17 0.00 -1.05 0.00 0.00 32.46 30.74 1ear n ARG 33 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ear s ILE 34 N -0.43 0.70 -0.09 8.89 -1.09 -1.25 -1.19 121.20 126.73 1ear s ILE 34 Ca 0.03 -0.09 -0.31 0.00 -2.23 0.00 0.00 60.65 58.06 1ear s ILE 34 Cb 0.02 -0.78 0.12 0.00 -1.58 0.00 0.00 42.46 40.24 1ear s ILE 34 CO 0.03 0.31 1.01 -1.48 -1.23 0.00 0.00 174.94 173.58 1ear s LEU 35 N 1.78 -0.29 -0.04 2.97 0.05 -0.62 -4.98 118.68 117.55 1ear s LEU 35 Ca 0.04 0.07 -0.01 0.00 0.05 0.00 0.00 54.13 54.28 1ear s LEU 35 Cb -0.13 1.78 0.03 0.00 -2.05 0.00 0.00 46.19 45.83 1ear s LEU 35 CO -0.06 -0.44 0.03 -0.60 -0.55 0.00 0.00 176.35 174.73 1ear s ARG 36 N -2.51 0.10 0.19 1.48 3.52 -1.26 0.04 118.95 120.50 1ear s ARG 36 Ca 0.05 0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.68 1ear s ARG 36 Cb -0.01 -0.49 0.04 0.00 -1.56 0.00 0.00 34.95 32.94 1ear s ARG 36 CO -0.06 -0.24 0.57 0.21 -0.81 0.00 0.00 175.30 174.98 1ear s LYS 37 N 1.59 1.38 -0.02 5.12 2.20 -0.57 -5.01 119.74 124.42 1ear s LYS 37 Ca -0.02 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 1ear s LYS 37 Cb -0.13 0.56 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1ear s LYS 37 CO -0.03 -0.60 0.31 -2.00 -0.36 0.00 0.00 175.35 172.68 1ear s GLU 38 N -3.83 3.71 0.93 4.03 2.12 -1.26 -1.54 118.70 122.86 1ear s GLU 38 Ca 0.06 0.15 -0.12 0.00 0.36 0.00 0.00 54.97 55.42 1ear s GLU 38 Cb -0.02 -3.16 0.15 0.00 0.26 0.00 0.00 34.13 31.36 1ear s GLU 38 CO -0.06 0.69 1.12 0.95 -0.54 0.00 0.00 175.26 177.42 1ear s THR 39 N -1.15 2.17 0.47 -1.70 -4.23 -0.04 -4.69 115.64 106.47 1ear s THR 39 Ca 0.23 0.05 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 1ear s THR 39 Cb -0.14 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.28 1ear s THR 39 CO 0.12 -0.07 2.07 -0.33 -0.54 0.00 0.00 174.62 175.87 1ear h GLU 40 N -1.58 0.25 -0.33 3.99 4.39 -1.13 -0.67 114.58 119.50 1ear h GLU 40 Ca -0.51 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1ear h GLU 40 Cb 1.32 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1ear h GLU 40 CO 0.60 0.16 0.00 0.09 -1.16 0.00 0.00 179.01 178.70 1ear n ASN 41 N -4.48 2.10 0.00 1.42 3.02 -1.26 -4.94 115.26 111.12 1ear n ASN 41 Ca 0.03 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 1ear n ASN 41 Cb 0.21 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1ear n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ear n GLY 42 N 1.17 0.88 3.71 7.41 0.00 -0.26 -5.07 105.19 113.03 1ear n GLY 42 Ca 0.15 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1ear n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ear s THR 43 N -2.00 5.01 -0.21 2.61 2.01 -1.26 -4.76 115.64 117.05 1ear s THR 43 Ca 0.00 1.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 1ear s THR 43 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1ear s THR 43 CO 0.00 0.20 1.29 -0.62 -0.69 0.00 0.00 174.62 174.81 1ear s ASP 44 N 0.89 6.83 -0.13 3.53 2.15 -1.26 -0.86 116.67 127.82 1ear s ASP 44 Ca 0.38 1.54 0.02 0.00 0.43 0.00 0.00 52.55 54.92 1ear s ASP 44 Cb -0.18 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 1ear s ASP 44 CO 0.17 -0.88 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.46 1ear s ILE 45 N 3.85 1.86 -0.29 4.11 -1.09 -0.59 0.28 121.20 129.34 1ear s ILE 45 Ca 0.56 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1ear s ILE 45 Cb -0.20 -1.66 0.05 0.00 -1.58 0.00 0.00 42.46 39.06 1ear s ILE 45 CO 0.18 0.51 -0.03 0.00 -1.23 0.00 0.00 174.94 174.38 1ear s ALA 46 N 0.88 2.76 -0.18 9.38 0.00 -0.62 -1.51 121.76 132.47 1ear s ALA 46 Ca -0.07 -1.71 -0.21 0.00 0.00 0.00 0.00 51.96 49.97 1ear s ALA 46 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1ear s ALA 46 CO -0.02 -1.18 0.64 0.42 0.00 0.00 0.00 175.76 175.62 1ear s ILE 47 N 1.25 5.02 -0.40 0.00 1.01 0.11 -0.57 121.20 127.62 1ear s ILE 47 Ca -0.05 1.23 0.07 0.00 0.00 0.00 0.00 60.65 61.91 1ear s ILE 47 Cb -0.19 -3.96 0.23 0.00 0.01 0.00 0.00 42.46 38.55 1ear s ILE 47 CO -0.02 0.13 0.50 0.29 0.00 0.00 0.00 174.94 175.84 1ear n LYS 48 N 4.86 0.60 -1.70 2.79 5.02 0.53 -1.59 118.16 128.67 1ear n LYS 48 Ca -0.01 -3.15 -0.44 0.00 -2.02 0.00 0.00 58.31 52.70 1ear n LYS 48 Cb 0.50 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1ear n LYS 48 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ear n LEU 49 N 1.72 3.72 -1.70 -0.35 4.77 -0.33 -4.22 117.00 120.62 1ear n LEU 49 Ca 0.22 1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 57.11 1ear n LEU 49 Cb 0.52 -1.52 0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1ear n LEU 49 CO 0.15 0.03 0.97 -1.84 -1.33 0.00 0.00 177.39 175.37 1ear n GLU 50 N 4.33 1.70 -3.92 3.23 0.28 -0.29 -4.87 120.64 121.09 1ear n GLU 50 Ca 0.17 -1.63 -0.09 0.00 -0.16 0.00 0.00 57.16 55.46 1ear n GLU 50 Cb 0.33 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.54 1ear n GLU 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ear s ASN 51 N -0.20 -0.05 0.00 -1.84 2.20 -1.26 -5.04 114.94 108.74 1ear s ASN 51 Ca 0.31 -0.90 0.17 0.00 -0.94 0.00 0.00 52.86 51.50 1ear s ASN 51 Cb 0.26 0.69 0.49 0.00 -2.00 0.00 0.00 41.25 40.69 1ear s ASN 51 CO 0.05 -1.33 1.39 -1.54 -2.94 0.00 0.00 177.10 172.73 1ear n SER 52 N -0.68 2.34 -4.70 3.54 3.41 -1.26 -4.93 113.62 111.33 1ear n SER 52 Ca -0.03 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.23 1ear n SER 52 Cb 0.60 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1ear n SER 52 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ear s GLY 53 N -1.19 1.82 0.25 5.00 0.00 -1.26 -4.97 107.32 106.96 1ear s GLY 53 Ca 0.32 1.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.83 1ear s GLY 53 CO 0.23 2.52 1.13 -1.59 0.00 0.00 0.00 173.10 175.39 1ear s THR 54 N 1.78 3.54 0.50 0.90 2.01 -1.26 -4.99 115.64 118.12 1ear s THR 54 Ca 0.67 1.45 -0.23 0.00 0.31 0.00 0.00 61.69 63.89 1ear s THR 54 Cb -0.36 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 1ear s THR 54 CO 0.30 0.31 1.30 -0.76 -0.69 0.00 0.00 174.62 175.07 1ear s LEU 55 N -1.04 3.96 0.03 4.42 1.43 -1.22 -5.02 118.68 121.24 1ear s LEU 55 Ca 0.47 2.62 0.09 0.00 -1.03 0.00 0.00 54.13 56.28 1ear s LEU 55 Cb -0.32 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 1ear s LEU 55 CO 0.40 -1.26 -0.25 -0.13 0.23 0.00 0.00 176.35 175.33 1ear s ARG 56 N -2.73 1.79 0.17 1.70 0.52 -1.26 -4.74 118.95 114.39 1ear s ARG 56 Ca 0.67 -1.05 -0.32 0.00 -0.52 0.00 0.00 55.73 54.51 1ear s ARG 56 Cb -0.37 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.08 1ear s ARG 56 CO 0.44 0.50 1.77 -0.47 0.02 0.00 0.00 175.30 177.56 1ear s TYR 57 N -0.76 2.55 0.00 -0.53 6.14 -1.26 -1.23 117.35 122.26 1ear s TYR 57 Ca 0.11 0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.99 1ear s TYR 57 Cb -0.10 -4.15 0.00 0.00 0.42 0.00 0.00 41.96 38.13 1ear s TYR 57 CO 0.01 -4.55 0.00 0.41 0.64 0.00 0.00 175.55 172.06 1ear n GLY 58 N 4.09 0.45 3.77 8.97 0.00 0.81 -4.89 105.19 118.39 1ear n GLY 58 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ear n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ear s ASP 59 N -2.61 6.27 -0.22 1.61 -0.00 -0.36 -0.77 116.67 120.59 1ear s ASP 59 Ca 0.00 2.88 -0.15 0.00 -0.00 0.00 0.00 52.55 55.28 1ear s ASP 59 Cb 0.00 -2.66 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 1ear s ASP 59 CO 0.00 -0.91 0.37 -0.69 -0.00 0.00 0.00 175.17 173.95 1ear s VAL 60 N -1.17 5.21 -0.07 -1.27 1.01 0.15 -1.28 120.40 122.97 1ear s VAL 60 Ca 0.55 0.62 0.13 0.00 0.00 0.00 0.00 61.98 63.29 1ear s VAL 60 Cb -0.43 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 1ear s VAL 60 CO 0.57 0.23 0.57 0.18 0.00 0.00 0.00 175.10 176.66 1ear n LEU 61 N 4.68 0.74 -3.66 3.92 4.77 0.21 -1.23 117.00 126.44 1ear n LEU 61 Ca -0.09 0.35 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 1ear n LEU 61 Cb 0.51 0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1ear n LEU 61 CO 0.39 0.41 0.31 -0.47 -1.33 0.00 0.00 177.39 176.70 1ear s TYR 62 N -2.58 -0.67 -0.06 -1.77 6.14 -1.09 -4.65 117.35 112.67 1ear s TYR 62 Ca -0.05 1.61 0.01 0.00 0.64 0.00 0.00 57.07 59.27 1ear s TYR 62 Cb 0.08 0.24 0.02 0.00 0.42 0.00 0.00 41.96 42.72 1ear s TYR 62 CO 0.83 -0.34 -0.05 -2.00 0.64 0.00 0.00 175.55 174.63 1ear s GLU 63 N 0.21 0.93 0.31 4.97 2.12 -1.26 -0.82 118.70 125.16 1ear s GLU 63 Ca -0.01 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1ear s GLU 63 Cb -0.04 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.39 1ear s GLU 63 CO 0.01 -0.13 0.11 -1.13 -0.54 0.00 0.00 175.26 173.59 1ear n SER 64 N 4.29 2.48 -0.21 -1.70 3.41 0.05 -5.01 113.62 116.93 1ear n SER 64 Ca -0.20 -2.24 0.10 0.00 -0.26 0.00 0.00 58.87 56.27 1ear n SER 64 Cb 0.51 0.10 0.39 0.00 -0.26 0.00 0.00 64.21 64.95 1ear n SER 64 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ear h ASP 65 N 0.57 0.61 0.00 4.04 2.03 -2.03 -3.27 116.42 118.37 1ear h ASP 65 Ca -0.23 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1ear h ASP 65 Cb 0.76 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1ear h ASP 65 CO 0.38 0.35 0.00 -0.90 -1.03 0.00 0.00 179.24 178.04 1ear n ASP 66 N -4.51 0.63 -4.08 4.15 5.75 -1.26 -5.04 116.55 112.20 1ear n ASP 66 Ca 0.14 -1.02 -0.17 0.00 -0.01 0.00 0.00 54.79 53.72 1ear n ASP 66 Cb 0.37 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.33 1ear n ASP 66 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ear s THR 67 N -0.02 0.81 -0.12 2.12 2.01 -1.23 -1.24 115.64 117.96 1ear s THR 67 Ca 0.00 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1ear s THR 67 Cb 0.00 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.76 1ear s THR 67 CO 0.00 -0.05 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.93 1ear s LEU 68 N -0.96 2.33 -0.41 4.42 1.43 0.66 -0.77 118.68 125.39 1ear s LEU 68 Ca -0.01 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 1ear s LEU 68 Cb -0.07 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1ear s LEU 68 CO 0.01 0.14 0.32 -0.63 0.23 0.00 0.00 176.35 176.41 1ear s ILE 69 N 0.49 5.23 0.19 -0.59 1.01 0.00 -0.11 121.20 127.43 1ear s ILE 69 Ca -0.13 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1ear s ILE 69 Cb -0.17 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1ear s ILE 69 CO 0.05 -0.30 -0.13 0.00 0.00 0.00 0.00 174.94 174.56 1ear s ALA 70 N 1.76 1.90 -0.06 9.38 0.00 -1.05 0.64 121.76 134.33 1ear s ALA 70 Ca 0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1ear s ALA 70 Cb -0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1ear s ALA 70 CO 0.11 0.03 0.03 -1.50 0.00 0.00 0.00 175.76 174.42 1ear s ILE 71 N -3.05 4.45 0.20 0.00 2.07 -0.41 -0.27 121.20 124.19 1ear s ILE 71 Ca 0.21 -0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 59.00 1ear s ILE 71 Cb 0.00 -2.92 0.02 0.00 0.13 0.00 0.00 42.46 39.69 1ear s ILE 71 CO 0.06 0.53 0.50 0.00 -1.91 0.00 0.00 174.94 174.12 1ear s ARG 72 N -1.14 1.38 0.42 3.50 1.70 -0.92 -0.13 118.95 123.77 1ear s ARG 72 Ca 0.16 -0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 54.45 1ear s ARG 72 Cb -0.12 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1ear s ARG 72 CO 0.05 -0.58 0.70 0.95 -1.08 0.00 0.00 175.30 175.35 1ear s THR 73 N -3.89 4.95 0.71 4.99 -4.23 -1.26 -1.39 115.64 115.52 1ear s THR 73 Ca 0.11 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 1ear s THR 73 Cb -0.01 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1ear s THR 73 CO -0.01 -0.69 1.07 -1.59 -0.54 0.00 0.00 174.62 172.86 1ear s LYS 74 N -4.42 2.73 -0.01 3.99 -2.85 -0.22 -4.78 119.74 114.18 1ear s LYS 74 Ca 0.46 1.09 -0.27 0.00 -1.00 0.00 0.00 55.97 56.25 1ear s LYS 74 Cb -0.10 -1.96 -0.04 0.00 -2.06 0.00 0.00 37.83 33.67 1ear s LYS 74 CO 0.40 -1.27 0.86 -1.17 0.10 0.00 0.00 175.35 174.27 1ear s LEU 75 N -5.51 4.36 0.13 2.77 2.96 -1.26 -4.32 118.68 117.82 1ear s LEU 75 Ca 0.60 1.48 -0.09 0.00 -0.22 0.00 0.00 54.13 55.91 1ear s LEU 75 Cb -0.16 -3.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 1ear s LEU 75 CO 0.52 -0.18 0.24 -1.83 -1.32 0.00 0.00 176.35 173.79 1ear s GLU 76 N 0.80 1.03 0.11 1.98 -1.05 -0.07 -4.92 118.70 116.58 1ear s GLU 76 Ca 0.45 -1.09 -0.31 0.00 -0.15 0.00 0.00 54.97 53.88 1ear s GLU 76 Cb -0.20 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 33.77 1ear s GLU 76 CO 0.24 -0.36 1.44 0.15 0.95 0.00 0.00 175.26 177.68 1ear s LYS 77 N -3.93 4.29 0.14 -4.83 3.01 -1.26 -1.07 119.74 116.10 1ear s LYS 77 Ca 0.12 2.13 -0.03 0.00 -1.01 0.00 0.00 55.97 57.18 1ear s LYS 77 Cb 0.04 -3.27 -0.03 0.00 -1.01 0.00 0.00 37.83 33.56 1ear s LYS 77 CO -0.04 -0.49 0.12 0.14 0.51 0.00 0.00 175.35 175.59 1ear s VAL 78 N 1.27 0.09 -0.21 3.17 -7.23 -0.02 -2.54 120.40 114.94 1ear s VAL 78 Ca 0.66 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1ear s VAL 78 Cb -0.38 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1ear s VAL 78 CO 0.30 -0.41 0.04 -0.31 -0.31 0.00 0.00 175.10 174.41 1ear s TYR 79 N -4.03 3.12 -0.82 2.82 2.02 0.25 -0.99 117.35 119.72 1ear s TYR 79 Ca 0.22 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 1ear s TYR 79 Cb 0.06 -2.13 0.22 0.00 -0.40 0.00 0.00 41.96 39.71 1ear s TYR 79 CO 0.01 -0.14 0.75 0.08 -1.57 0.00 0.00 175.55 174.68 1ear s VAL 80 N 0.97 5.38 0.04 0.71 1.01 0.26 -2.71 120.40 126.07 1ear s VAL 80 Ca 0.03 -2.61 -0.31 0.00 0.00 0.00 0.00 61.98 59.10 1ear s VAL 80 Cb -0.14 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1ear s VAL 80 CO 0.02 -1.02 1.25 -0.63 0.00 0.00 0.00 175.10 174.73 1ear s ILE 81 N 0.03 3.91 -0.55 2.22 1.01 -0.71 -1.69 121.20 125.42 1ear s ILE 81 Ca 0.19 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.23 1ear s ILE 81 Cb -0.11 -3.87 0.14 0.00 0.01 0.00 0.00 42.46 38.63 1ear s ILE 81 CO -0.08 0.07 0.31 -0.54 0.00 0.00 0.00 174.94 174.70 1ear s LYS 82 N 1.41 2.03 0.20 2.79 1.02 0.17 -1.49 119.74 125.88 1ear s LYS 82 Ca 0.60 -2.73 -0.30 0.00 0.02 0.00 0.00 55.97 53.55 1ear s LYS 82 Cb -0.30 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 33.66 1ear s LYS 82 CO 0.28 -1.15 1.30 -1.25 -0.92 0.00 0.00 175.35 173.61 1ear s PRO 83 N -0.49 4.40 0.11 -1.68 0.04 -1.25 -4.04 135.00 132.08 1ear s PRO 83 Ca 0.19 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.52 1ear s PRO 83 Cb -0.21 -3.19 0.43 0.00 0.04 0.00 0.00 34.50 31.57 1ear s PRO 83 CO -0.04 -0.23 1.39 1.04 0.04 0.00 0.00 177.00 179.20 1ear n GLN 84 N 2.52 0.25 -4.18 4.56 1.13 -1.26 -4.83 117.38 115.57 1ear n GLN 84 Ca 0.06 0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 1ear n GLN 84 Cb 0.43 -1.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.00 1ear n GLN 84 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ear s THR 85 N -3.14 0.18 0.43 5.09 -4.23 -1.26 -5.02 115.64 107.69 1ear s THR 85 Ca 0.07 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1ear s THR 85 Cb 0.14 -2.20 0.25 0.00 1.34 0.00 0.00 72.50 72.03 1ear s THR 85 CO 0.70 -0.33 2.05 0.24 -0.54 0.00 0.00 174.62 176.74 1ear h MET 86 N 2.75 0.39 -0.21 3.99 2.86 -2.00 -1.25 114.93 121.47 1ear h MET 86 Ca -0.36 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.05 1ear h MET 86 Cb 1.21 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.80 1ear h MET 86 CO 0.58 0.30 -0.63 0.37 1.06 0.00 0.00 176.91 178.59 1ear h GLN 87 N 0.40 0.80 -0.45 1.72 4.15 -1.99 -1.79 115.11 117.95 1ear h GLN 87 Ca 0.10 -0.58 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 1ear h GLN 87 Cb 0.02 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1ear h GLN 87 CO -0.02 1.20 0.20 0.93 -1.93 0.00 0.00 178.83 179.22 1ear h GLU 88 N 0.55 0.66 0.31 1.69 5.08 -1.80 -0.86 114.58 120.21 1ear h GLU 88 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1ear h GLU 88 Cb 1.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ear h GLU 88 CO 0.14 0.58 -0.15 1.98 -1.00 0.00 0.00 179.01 180.56 1ear h MET 89 N 0.59 -0.40 0.03 2.33 4.05 -1.24 -0.73 114.93 119.56 1ear h MET 89 Ca 0.15 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.62 1ear h MET 89 Cb 0.15 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1ear h MET 89 CO -0.02 -0.27 -0.11 0.78 0.23 0.00 0.00 176.91 177.52 1ear h GLY 90 N -0.41 -0.16 1.01 1.39 0.00 -1.21 0.95 103.07 104.63 1ear h GLY 90 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1ear h GLY 90 CO 0.07 -0.12 0.42 0.50 0.00 0.00 0.00 176.54 177.41 1ear h LYS 91 N -0.21 1.02 -0.19 4.80 1.57 -1.13 0.74 116.57 123.17 1ear h LYS 91 Ca 0.03 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ear h LYS 91 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1ear h LYS 91 CO -0.09 0.75 -0.03 1.98 -0.57 0.00 0.00 179.45 181.49 1ear h MET 92 N 1.01 0.35 -0.90 3.15 4.05 -0.94 -2.45 114.93 119.21 1ear h MET 92 Ca 0.26 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1ear h MET 92 Cb 0.02 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1ear h MET 92 CO -0.04 0.59 0.52 0.00 0.23 0.00 0.00 176.91 178.20 1ear h ALA 93 N 0.75 1.15 -0.14 0.39 0.00 -0.61 -2.18 119.26 118.61 1ear h ALA 93 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ear h ALA 93 Cb 0.45 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ear h ALA 93 CO 0.01 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.27 1ear h PHE 94 N 1.24 0.05 -0.97 0.00 3.57 -0.74 -0.65 116.94 119.46 1ear h PHE 94 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1ear h PHE 94 Cb -0.02 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1ear h PHE 94 CO 0.01 0.02 0.61 0.93 -2.23 0.00 0.00 178.31 177.65 1ear h GLU 95 N 0.09 1.29 -0.37 1.11 4.39 -1.17 1.00 114.58 120.92 1ear h GLU 95 Ca 0.06 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1ear h GLU 95 Cb 0.05 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1ear h GLU 95 CO -0.08 0.88 0.04 0.82 -1.16 0.00 0.00 179.01 179.51 1ear h ILE 96 N 1.32 1.25 -0.56 3.13 2.04 -1.07 -2.47 117.51 121.15 1ear h ILE 96 Ca 0.35 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 1ear h ILE 96 Cb -0.10 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ear h ILE 96 CO -0.07 0.30 0.04 1.23 0.00 0.00 0.00 178.15 179.66 1ear h GLY 97 N 0.47 1.01 1.74 5.37 0.00 -0.71 -1.76 103.07 109.20 1ear h GLY 97 Ca 0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1ear h GLY 97 CO 0.01 0.63 0.13 -0.57 0.00 0.00 0.00 176.54 176.74 1ear h ASN 98 N 0.87 0.30 -0.62 0.19 -1.24 -0.58 -0.64 115.58 113.87 1ear h ASN 98 Ca 0.17 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1ear h ASN 98 Cb 0.45 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1ear h ASN 98 CO 0.02 0.25 0.00 -2.11 -1.29 0.00 0.00 177.43 174.30 1ear n ARG 99 N -4.46 2.85 -3.80 6.67 1.85 -0.95 -4.95 116.66 113.86 1ear n ARG 99 Ca 0.01 -2.41 -0.24 0.00 -1.00 0.00 0.00 57.85 54.21 1ear n ARG 99 Cb 0.10 -1.63 0.02 0.00 -1.05 0.00 0.00 32.46 29.91 1ear n ARG 99 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ear n HIS 100 N 1.24 -1.95 -3.58 2.89 8.25 -0.25 -4.97 115.22 116.85 1ear n HIS 100 Ca 0.22 0.84 -0.36 0.00 -0.26 0.00 0.00 57.72 58.16 1ear n HIS 100 Cb 0.64 -4.16 -0.07 0.00 1.12 0.00 0.00 29.99 27.52 1ear n HIS 100 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ear s THR 101 N -3.63 5.33 0.36 1.59 2.01 -0.70 -5.04 115.64 115.57 1ear s THR 101 Ca 0.17 0.46 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 1ear s THR 101 Cb -0.09 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 1ear s THR 101 CO 0.83 0.40 1.41 -0.04 -0.69 0.00 0.00 174.62 176.53 1ear s MET 102 N 0.46 4.21 0.20 4.92 -1.94 -1.26 -4.69 119.30 121.20 1ear s MET 102 Ca 0.14 2.42 -0.23 0.00 -1.71 0.00 0.00 55.69 56.31 1ear s MET 102 Cb -0.12 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.76 1ear s MET 102 CO 0.02 -0.39 0.76 0.00 -0.01 0.00 0.00 175.02 175.40 1ear s ILE 104 N -3.66 1.24 -0.53 0.00 1.01 -0.37 -4.93 121.20 113.97 1ear s ILE 104 Ca 0.08 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1ear s ILE 104 Cb -0.03 -1.17 0.13 0.00 0.01 0.00 0.00 42.46 41.39 1ear s ILE 104 CO -0.01 0.39 0.45 -0.63 0.00 0.00 0.00 174.94 175.15 1ear s ILE 105 N 1.15 4.83 -0.24 2.92 -1.09 -1.26 -0.85 121.20 126.65 1ear s ILE 105 Ca -0.05 -1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 56.71 1ear s ILE 105 Cb -0.14 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 1ear s ILE 105 CO -0.03 -0.84 -0.09 -1.83 -1.23 0.00 0.00 174.94 170.92 1ear s GLU 106 N 1.44 2.79 5.91 2.79 -1.05 -0.91 -4.99 118.70 124.68 1ear s GLU 106 Ca 0.05 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1ear s GLU 106 Cb -0.28 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 1ear s GLU 106 CO 0.01 -0.39 0.00 -0.25 0.95 0.00 0.00 175.26 175.58 1ear n ASP 107 N 4.63 0.00 -0.53 0.83 8.00 -1.26 -1.86 116.55 126.36 1ear n ASP 107 Ca -0.17 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.42 1ear n ASP 107 Cb 0.47 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.78 1ear n ASP 107 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ear n ASP 108 N 11.53 3.18 -4.30 -2.24 5.75 -1.26 -5.02 116.55 124.20 1ear n ASP 108 Ca 0.00 -3.07 -0.21 0.00 -0.01 0.00 0.00 54.79 51.50 1ear n ASP 108 Cb 0.00 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.48 1ear n ASP 108 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ear s GLU 109 N -2.86 1.18 -0.21 0.11 2.02 -0.78 -3.83 118.70 114.33 1ear s GLU 109 Ca 0.38 -1.31 0.02 0.00 0.02 0.00 0.00 54.97 54.07 1ear s GLU 109 Cb 0.32 -1.23 0.04 0.00 0.10 0.00 0.00 34.13 33.35 1ear s GLU 109 CO 0.06 0.26 -0.15 0.42 0.02 0.00 0.00 175.26 175.87 1ear s ILE 110 N -1.88 1.99 -0.24 -1.63 1.01 -0.55 -2.15 121.20 117.74 1ear s ILE 110 Ca 0.12 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 1ear s ILE 110 Cb -0.06 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1ear s ILE 110 CO 0.05 0.29 0.29 -0.76 0.00 0.00 0.00 174.94 174.81 1ear s LEU 111 N 1.26 4.09 0.05 2.97 1.43 -0.03 -1.75 118.68 126.70 1ear s LEU 111 Ca -0.01 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1ear s LEU 111 Cb -0.16 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1ear s LEU 111 CO -0.09 -0.06 -0.07 0.68 0.23 0.00 0.00 176.35 177.03 1ear s VAL 112 N 1.53 0.51 0.70 -1.59 -7.23 -1.10 -1.24 120.40 111.98 1ear s VAL 112 Ca 0.13 -1.20 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 1ear s VAL 112 Cb -0.15 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1ear s VAL 112 CO 0.08 -0.48 1.20 -0.13 -0.31 0.00 0.00 175.10 175.46 1ear s ARG 113 N -1.95 2.35 0.06 4.82 0.52 -1.26 -0.58 118.95 122.91 1ear s ARG 113 Ca -0.07 1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.58 1ear s ARG 113 Cb -0.07 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 33.45 1ear s ARG 113 CO -0.01 -1.67 1.77 -0.47 0.02 0.00 0.00 175.30 174.94 1ear s TYR 114 N -1.94 2.02 -0.21 -0.53 6.14 -1.05 -4.49 117.35 117.30 1ear s TYR 114 Ca 0.74 0.03 -0.04 0.00 0.64 0.00 0.00 57.07 58.45 1ear s TYR 114 Cb -0.29 -4.08 0.10 0.00 0.42 0.00 0.00 41.96 38.12 1ear s TYR 114 CO 0.43 -4.51 0.25 0.34 0.64 0.00 0.00 175.55 172.70 1ear s ASP 115 N 3.10 1.14 0.12 4.32 -1.08 -1.26 -5.02 116.67 117.99 1ear s ASP 115 Ca 0.79 -0.12 -0.31 0.00 -0.52 0.00 0.00 52.55 52.39 1ear s ASP 115 Cb -0.41 0.52 -0.09 0.00 -1.46 0.00 0.00 42.92 41.48 1ear s ASP 115 CO 0.35 -0.32 1.57 0.50 0.52 0.00 0.00 175.17 177.79 1ear h LYS 116 N 8.29 -0.54 0.00 4.34 1.63 -2.03 -0.28 116.57 127.98 1ear h LYS 116 Ca -0.17 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1ear h LYS 116 Cb 1.15 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1ear h LYS 116 CO 0.27 -0.36 0.00 0.25 -3.45 0.00 0.00 179.45 176.16 1ear n THR 117 N -5.45 0.00 -0.04 1.00 -2.24 -1.26 -1.04 114.28 105.25 1ear n THR 117 Ca -0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1ear n THR 117 Cb 0.38 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 1ear n THR 117 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ear n LEU 118 N -0.73 0.00 -0.35 3.22 0.00 -0.12 -4.47 117.00 114.55 1ear n LEU 118 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 1ear n LEU 118 Cb 0.00 0.16 0.09 0.00 0.00 0.00 0.00 43.42 43.67 1ear n LEU 118 CO 0.00 0.16 1.22 -0.33 0.00 0.00 0.00 177.39 178.43 1ear h GLU 119 N 0.00 1.28 0.00 1.96 5.08 -1.11 -1.35 114.58 120.44 1ear h GLU 119 Ca -0.17 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1ear h GLU 119 Cb 1.29 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1ear h GLU 119 CO 0.01 0.90 -0.04 1.57 -1.00 0.00 0.00 179.01 180.45 1ear h LYS 120 N 1.29 0.00 0.11 2.33 5.09 -1.78 -0.94 116.57 122.66 1ear h LYS 120 Ca 0.33 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.85 1ear h LYS 120 Cb -0.04 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.31 1ear h LYS 120 CO -0.06 0.04 -0.93 1.25 -2.09 0.00 0.00 179.45 177.66 1ear h LEU 121 N 0.00 0.62 -0.41 7.07 5.85 -1.50 -2.05 115.31 124.89 1ear h LEU 121 Ca -0.00 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.83 1ear h LEU 121 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1ear h LEU 121 CO 0.01 1.43 0.17 0.40 -0.34 0.00 0.00 178.44 180.11 1ear h ILE 122 N -0.10 1.19 -0.52 4.05 2.04 -0.82 -1.63 117.51 121.71 1ear h ILE 122 Ca -0.15 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1ear h ILE 122 Cb 1.67 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1ear h ILE 122 CO 0.18 0.21 0.21 0.44 0.00 0.00 0.00 178.15 179.19 1ear h ASP 123 N 0.52 0.72 -0.95 1.72 3.32 -1.29 0.30 116.42 120.77 1ear h ASP 123 Ca 0.14 -0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.14 1ear h ASP 123 Cb 0.17 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.45 1ear h ASP 123 CO -0.01 0.69 0.58 -0.08 -1.72 0.00 0.00 179.24 178.69 1ear h GLU 124 N 0.71 0.89 0.00 3.56 4.81 -1.07 0.28 114.58 123.75 1ear h GLU 124 Ca 0.17 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1ear h GLU 124 Cb 0.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ear h GLU 124 CO -0.01 0.59 -0.21 0.28 -0.73 0.00 0.00 179.01 178.92 1ear h VAL 125 N 0.91 0.40 -0.25 0.32 2.07 -0.76 -3.48 116.25 115.47 1ear h VAL 125 Ca 0.47 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1ear h VAL 125 Cb 0.48 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1ear h VAL 125 CO -0.27 0.20 -0.01 0.61 0.02 0.00 0.00 177.57 178.12 1ear n GLY 126 N 0.75 0.45 3.82 2.17 0.00 0.98 -5.02 105.19 108.34 1ear n GLY 126 Ca 0.02 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1ear n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ear s VAL 127 N -2.20 4.98 0.12 1.61 1.01 -1.00 -5.03 120.40 119.89 1ear s VAL 127 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1ear s VAL 127 Cb -0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1ear s VAL 127 CO 0.00 0.43 0.96 -0.44 0.00 0.00 0.00 175.10 176.05 1ear s SER 128 N -1.53 7.50 0.18 3.32 0.01 -1.26 -4.64 113.70 117.28 1ear s SER 128 Ca 0.21 1.80 -0.00 0.00 1.31 0.00 0.00 55.95 59.27 1ear s SER 128 Cb -0.12 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1ear s SER 128 CO 0.11 -0.06 0.08 -0.72 0.41 0.00 0.00 173.24 173.07 1ear s TYR 129 N -0.04 1.09 -0.04 2.43 1.13 -1.26 0.46 117.35 121.11 1ear s TYR 129 Ca 0.47 -1.25 -0.05 0.00 -1.41 0.00 0.00 57.07 54.82 1ear s TYR 129 Cb -0.23 -0.58 0.01 0.00 -1.10 0.00 0.00 41.96 40.05 1ear s TYR 129 CO 0.30 -0.50 0.14 -2.00 -2.51 0.00 0.00 175.55 170.97 1ear s GLU 130 N -4.07 0.23 0.20 -3.49 2.12 -0.68 -4.94 118.70 108.06 1ear s GLU 130 Ca 0.31 0.07 -0.18 0.00 0.36 0.00 0.00 54.97 55.53 1ear s GLU 130 Cb 0.07 0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.49 1ear s GLU 130 CO 0.07 -0.04 0.67 -1.14 -0.54 0.00 0.00 175.26 174.28 1ear s GLN 131 N -0.23 4.17 0.08 4.30 0.74 -1.26 0.92 119.66 128.39 1ear s GLN 131 Ca -0.03 0.76 -0.04 0.00 0.05 0.00 0.00 55.36 56.10 1ear s GLN 131 Cb -0.02 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.19 1ear s GLN 131 CO 0.00 0.43 0.19 0.45 -0.55 0.00 0.00 175.29 175.81 1ear n SER 132 N 0.78 -0.49 -3.97 6.67 2.88 -0.16 -4.90 113.62 114.43 1ear n SER 132 Ca -0.03 -1.33 -0.29 0.00 -1.33 0.00 0.00 58.87 55.89 1ear n SER 132 Cb 0.51 0.82 -0.16 0.00 -0.75 0.00 0.00 64.21 64.62 1ear n SER 132 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ear s GLU 133 N -2.02 1.96 0.22 -1.46 2.02 -1.26 -0.84 118.70 117.32 1ear s GLU 133 Ca 0.04 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1ear s GLU 133 Cb -0.01 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1ear s GLU 133 CO 0.02 -0.31 0.24 1.03 0.02 0.00 0.00 175.26 176.26 1ear s ARG 134 N 1.53 1.31 -0.13 1.61 0.52 -0.23 -4.85 118.95 118.71 1ear s ARG 134 Ca 0.03 -1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 53.70 1ear s ARG 134 Cb -0.14 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 1ear s ARG 134 CO -0.09 -0.47 -0.09 1.03 0.02 0.00 0.00 175.30 175.70 1ear s ARG 135 N -4.11 3.43 -0.13 3.54 0.52 -1.26 -0.89 118.95 120.04 1ear s ARG 135 Ca 0.34 -0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 1ear s ARG 135 Cb 0.05 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 1ear s ARG 135 CO 0.11 0.27 1.27 -0.06 0.02 0.00 0.00 175.30 176.91 1ear s PHE 136 N 0.25 2.87 -1.36 -0.53 0.40 -1.26 -4.91 117.98 113.43 1ear s PHE 136 Ca -0.06 1.00 0.20 0.00 -0.60 0.00 0.00 56.93 57.47 1ear s PHE 136 Cb -0.15 -3.51 0.72 0.00 0.51 0.00 0.00 43.02 40.59 1ear s PHE 136 CO 0.04 -1.75 1.62 1.63 0.70 0.00 0.00 175.22 177.47 1ear n LYS 137 N 6.32 3.52 -3.81 0.44 5.02 -1.26 -4.59 118.16 123.80 1ear n LYS 137 Ca 0.13 -2.85 -0.13 0.00 -2.02 0.00 0.00 58.31 53.45 1ear n LYS 137 Cb 0.45 -1.83 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1ear n LYS 137 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ear s GLU 138 N -1.65 0.17 0.40 1.97 2.02 -1.26 -4.43 118.70 115.91 1ear s GLU 138 Ca 0.51 0.24 -0.26 0.00 0.02 0.00 0.00 54.97 55.49 1ear s GLU 138 Cb 0.32 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 34.50 1ear s GLU 138 CO 0.27 -0.05 1.25 -1.25 0.02 0.00 0.00 175.26 175.51 1ear s PRO 139 N 0.28 4.02 -0.15 0.39 0.04 -1.26 -4.92 135.00 133.39 1ear s PRO 139 Ca -0.02 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1ear s PRO 139 Cb -0.03 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1ear s PRO 139 CO -0.01 -0.41 1.41 0.12 0.04 0.00 0.00 177.00 178.15 1ear s PHE 140 N -1.30 2.51 -0.17 0.56 5.36 -1.26 -4.95 117.98 118.73 1ear s PHE 140 Ca 0.56 0.72 -0.29 0.00 -0.96 0.00 0.00 56.93 56.96 1ear s PHE 140 Cb -0.36 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 38.58 1ear s PHE 140 CO 0.45 -2.44 1.65 0.21 -1.46 0.00 0.00 175.22 173.64 1ear s LYS 141 N 3.85 3.89 0.00 10.12 2.47 -1.26 -4.98 119.74 133.82 1ear s LYS 141 Ca 0.62 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.88 1ear s LYS 141 Cb -0.25 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.09 1ear s LYS 141 CO 0.21 -1.19 0.00 0.66 0.16 0.00 0.00 175.35 175.19