#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 s SER 2 N 0.00 1.69 -0.40 1.61 0.15 -1.26 -5.09 113.70 110.40 1x05 s SER 2 Ca 0.00 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.45 1x05 s SER 2 Cb 0.00 -0.47 0.18 0.00 -1.71 0.00 0.00 66.02 64.02 1x05 s SER 2 CO 0.00 0.11 0.59 -0.44 1.20 0.00 0.00 173.24 174.70 1x05 s SER 3 N 0.12 -1.10 0.00 5.45 0.01 -1.26 -5.01 113.70 111.92 1x05 s SER 3 Ca -0.04 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1x05 s SER 3 Cb -0.10 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.87 1x05 s SER 3 CO 0.01 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x05 n GLY 4 N 4.39 -1.02 3.76 3.44 0.00 -1.26 -5.16 105.19 109.34 1x05 n GLY 4 Ca 0.11 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x05 s SER 5 N 0.00 4.59 -0.13 1.61 1.04 -1.26 -4.39 113.70 115.17 1x05 s SER 5 Ca 0.00 1.91 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 1x05 s SER 5 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1x05 s SER 5 CO 0.00 -1.98 0.02 -1.20 0.98 0.00 0.00 173.24 171.06 1x05 n SER 6 N -3.21 -7.12 0.00 7.02 7.64 -1.26 -4.99 113.62 111.71 1x05 n SER 6 Ca 0.10 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1x05 n SER 6 Cb 0.53 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 7 N 1.04 1.71 3.28 0.23 0.00 -1.26 -5.18 105.19 105.00 1x05 n GLY 7 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1x05 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 8 N -0.58 0.00 0.58 1.61 0.11 -1.26 -5.13 120.40 115.72 1x05 s VAL 8 Ca 0.00 -1.89 -0.18 0.00 -2.93 0.00 0.00 61.98 56.98 1x05 s VAL 8 Cb 0.00 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.30 1x05 s VAL 8 CO 0.00 0.00 0.41 -0.38 -3.33 0.00 0.00 175.10 171.80 1x05 n ILE 9 N -0.32 1.86 -4.38 7.04 2.08 -1.26 -4.99 119.36 119.38 1x05 n ILE 9 Ca 0.02 -0.49 -0.20 0.00 0.56 0.00 0.00 62.75 62.64 1x05 n ILE 9 Cb 0.65 -0.58 -0.14 0.00 -0.75 0.00 0.00 39.64 38.82 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1x05 s LEU 10 N 1.36 2.14 0.00 1.39 0.20 -1.26 -5.15 118.68 117.36 1x05 s LEU 10 Ca 0.66 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1x05 s LEU 10 Cb -0.44 -0.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 1x05 s LEU 10 CO 0.57 0.05 0.00 0.29 -0.29 0.00 0.00 176.35 176.97 1x05 n LYS 11 N 2.10 0.57 -0.07 1.98 5.02 -1.26 -5.04 118.16 121.45 1x05 n LYS 11 Ca -0.17 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.94 1x05 n LYS 11 Cb 0.55 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.43 1x05 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x05 n GLU 12 N -0.98 0.69 0.04 1.97 -0.58 -1.26 -4.03 120.64 116.49 1x05 n GLU 12 Ca 0.00 0.19 0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1x05 n GLU 12 Cb 0.00 -1.61 0.29 0.00 -0.57 0.00 0.00 31.44 29.54 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1x05 n GLU 13 N -3.27 0.05 -0.49 3.49 0.00 -1.26 -1.23 120.64 117.92 1x05 n GLU 13 Ca -0.37 0.38 0.05 0.00 0.00 0.00 0.00 57.16 57.22 1x05 n GLU 13 Cb 1.03 -1.61 0.23 0.00 0.00 0.00 0.00 31.44 31.09 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x05 n PHE 14 N -1.70 0.85 -0.91 -1.84 3.72 -1.26 -4.69 117.46 111.64 1x05 n PHE 14 Ca 0.02 -1.10 -0.16 0.00 -0.05 0.00 0.00 57.45 56.16 1x05 n PHE 14 Cb 0.12 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.35 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N -0.81 1.80 0.00 -1.08 5.12 -0.37 -4.78 116.66 116.53 1x05 n ARG 15 Ca 0.24 -1.51 0.00 0.00 -1.93 0.00 0.00 57.85 54.65 1x05 n ARG 15 Cb 0.90 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x05 n GLY 16 N 0.48 5.35 3.32 -0.13 0.00 -1.25 -4.40 105.19 108.56 1x05 n GLY 16 Ca 0.30 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 1x05 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 17 N 2.76 0.00 0.35 1.61 0.11 -1.16 -4.94 120.40 119.13 1x05 s VAL 17 Ca 0.00 -1.82 0.07 0.00 -2.93 0.00 0.00 61.98 57.30 1x05 s VAL 17 Cb 0.00 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 1x05 s VAL 17 CO 0.00 0.00 0.34 -0.63 -3.33 0.00 0.00 175.10 171.48 1x05 s ILE 18 N -4.07 3.47 0.00 7.04 1.01 -1.26 -1.48 121.20 125.90 1x05 s ILE 18 Ca 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1x05 s ILE 18 Cb 0.05 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1x05 s ILE 18 CO 0.12 -0.14 0.00 2.30 0.00 0.00 0.00 174.94 177.22 1x05 n ILE 19 N -1.46 0.00 -4.19 2.92 -0.00 -1.08 -4.81 119.36 110.74 1x05 n ILE 19 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.58 1x05 n ILE 19 Cb 0.60 -0.21 -0.13 0.00 -0.00 0.00 0.00 39.64 39.90 1x05 n ILE 19 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1x05 s LYS 20 N -1.44 0.65 -0.10 6.28 2.20 -1.26 -5.05 119.74 121.02 1x05 s LYS 20 Ca 0.00 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 54.82 1x05 s LYS 20 Cb 0.00 -0.56 0.04 0.00 -1.51 0.00 0.00 37.83 35.80 1x05 s LYS 20 CO 0.00 0.13 0.44 -0.65 -0.36 0.00 0.00 175.35 174.91 1x05 s GLN 21 N -1.06 0.66 0.00 4.03 -0.21 -1.26 -1.26 119.66 120.56 1x05 s GLN 21 Ca -0.03 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.64 1x05 s GLN 21 Cb -0.07 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1x05 s GLN 21 CO 0.01 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 1x05 n GLY 22 N 2.00 -0.53 3.21 3.09 0.00 -0.97 -5.04 105.19 106.95 1x05 n GLY 22 Ca -0.17 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -0.50 2.08 -0.51 0.00 1.43 0.32 -4.88 118.68 116.61 1x05 s LEU 24 Ca 0.08 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 1x05 s LEU 24 Cb -0.08 -0.21 0.13 0.00 0.03 0.00 0.00 46.19 46.06 1x05 s LEU 24 CO -0.01 -0.57 0.42 -0.76 0.23 0.00 0.00 176.35 175.66 1x05 s LEU 25 N -3.32 5.90 -0.41 1.79 2.01 -1.23 -0.29 118.68 123.13 1x05 s LEU 25 Ca 0.31 -1.92 -0.25 0.00 0.01 0.00 0.00 54.13 52.28 1x05 s LEU 25 Cb 0.06 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 44.20 1x05 s LEU 25 CO 0.10 -0.74 0.89 -0.75 1.01 0.00 0.00 176.35 176.86 1x05 s LYS 26 N 1.38 3.67 0.91 1.70 2.20 -1.17 -3.18 119.74 125.24 1x05 s LYS 26 Ca 0.05 0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.87 1x05 s LYS 26 Cb -0.27 -3.86 0.12 0.00 -1.51 0.00 0.00 37.83 32.31 1x05 s LYS 26 CO 0.00 -1.05 1.02 0.94 -0.36 0.00 0.00 175.35 175.90 1x05 n GLN 27 N 6.86 -0.34 0.00 4.03 7.27 -0.85 -4.23 117.38 130.12 1x05 n GLN 27 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1x05 n GLN 27 Cb 0.48 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.84 1x05 n GLN 27 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x05 n GLY 28 N 0.54 0.65 3.99 1.69 0.00 -1.26 -4.89 105.19 105.90 1x05 n GLY 28 Ca 0.11 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1x05 n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x05 s HIS 29 N -0.99 1.73 0.14 1.61 5.04 -1.26 -5.03 115.29 116.53 1x05 s HIS 29 Ca 0.00 -0.69 0.00 0.00 -1.54 0.00 0.00 55.06 52.83 1x05 s HIS 29 Cb 0.00 -2.16 -0.08 0.00 0.04 0.00 0.00 32.58 30.38 1x05 s HIS 29 CO 0.00 -0.82 1.32 0.00 -2.34 0.00 0.00 174.74 172.89 1x05 h ARG 30 N 0.44 0.25 0.00 2.88 3.08 -1.99 -3.43 114.38 115.60 1x05 h ARG 30 Ca -0.34 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1x05 h ARG 30 Cb 1.29 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1x05 h ARG 30 CO 0.46 1.03 0.00 0.54 -1.07 0.00 0.00 179.97 180.94 1x05 n ARG 31 N -3.64 0.00 0.15 0.04 1.74 -1.26 -5.09 116.66 108.59 1x05 n ARG 31 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1x05 n ARG 31 Cb 0.85 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x05 n LYS 32 N 0.00 0.00 -1.28 5.56 0.00 -1.26 -5.11 118.16 116.06 1x05 n LYS 32 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.90 1x05 n LYS 32 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1x05 n LYS 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x05 n ASN 33 N -3.26 -2.78 -3.26 3.14 5.15 -1.26 -4.69 115.26 108.31 1x05 n ASN 33 Ca 0.00 0.81 -0.20 0.00 -0.60 0.00 0.00 54.58 54.59 1x05 n ASN 33 Cb 0.00 -0.87 0.15 0.00 -0.53 0.00 0.00 39.78 38.53 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1x05 n TRP 34 N -0.97 -3.81 -3.67 1.20 7.02 -1.26 -4.56 117.44 111.39 1x05 n TRP 34 Ca 0.11 -0.74 -0.19 0.00 -1.02 0.00 0.00 57.50 55.67 1x05 n TRP 34 Cb 0.39 -0.73 -0.17 0.00 -2.42 0.00 0.00 31.31 28.37 1x05 n TRP 34 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1x05 s LYS 35 N -4.84 -0.04 0.39 -0.99 2.20 -1.26 -5.01 119.74 110.19 1x05 s LYS 35 Ca 0.50 0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 56.27 1x05 s LYS 35 Cb -0.03 -0.42 -0.09 0.00 -1.51 0.00 0.00 37.83 35.78 1x05 s LYS 35 CO 0.36 -0.31 1.35 0.08 -0.36 0.00 0.00 175.35 176.47 1x05 s VAL 36 N 2.15 2.47 -0.05 4.02 1.01 -1.26 -3.06 120.40 125.67 1x05 s VAL 36 Ca 0.04 0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1x05 s VAL 36 Cb -0.12 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1x05 s VAL 36 CO -0.04 0.08 0.44 -0.60 0.00 0.00 0.00 175.10 174.98 1x05 s ARG 37 N -2.15 0.76 -0.09 2.72 6.06 0.60 -4.73 118.95 122.11 1x05 s ARG 37 Ca 0.55 0.09 -0.25 0.00 -2.50 0.00 0.00 55.73 53.62 1x05 s ARG 37 Cb -0.41 0.35 -0.03 0.00 0.06 0.00 0.00 34.95 34.92 1x05 s ARG 37 CO 0.53 -0.20 0.76 0.21 -2.50 0.00 0.00 175.30 174.10 1x05 s LYS 38 N -1.01 4.41 -0.14 5.12 2.20 -0.00 0.12 119.74 130.44 1x05 s LYS 38 Ca -0.10 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1x05 s LYS 38 Cb -0.03 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1x05 s LYS 38 CO 0.05 -0.05 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.79 1x05 s PHE 39 N 1.17 2.10 -0.10 4.03 0.40 0.15 0.02 117.98 125.75 1x05 s PHE 39 Ca 0.39 -1.13 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1x05 s PHE 39 Cb -0.18 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1x05 s PHE 39 CO 0.18 -0.62 -0.13 0.42 0.70 0.00 0.00 175.22 175.77 1x05 s ILE 40 N 1.37 3.12 -0.09 0.64 1.01 0.41 -2.29 121.20 125.36 1x05 s ILE 40 Ca 0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1x05 s ILE 40 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1x05 s ILE 40 CO -0.08 0.55 -0.02 -0.22 0.00 0.00 0.00 174.94 175.17 1x05 s LEU 41 N -0.06 3.43 -0.05 2.97 2.96 -0.39 -0.43 118.68 127.11 1x05 s LEU 41 Ca -0.02 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1x05 s LEU 41 Cb -0.14 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1x05 s LEU 41 CO 0.04 0.34 0.04 -0.13 -1.32 0.00 0.00 176.35 175.31 1x05 s ARG 42 N -0.64 0.12 -0.06 1.98 0.52 0.35 -2.63 118.95 118.59 1x05 s ARG 42 Ca 0.10 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.55 1x05 s ARG 42 Cb -0.12 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 1x05 s ARG 42 CO 0.02 -0.30 0.16 -1.83 0.02 0.00 0.00 175.30 173.36 1x05 s GLU 43 N 2.00 3.41 -0.56 3.54 -1.05 -0.55 0.36 118.70 125.85 1x05 s GLU 43 Ca 0.03 -0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 54.43 1x05 s GLU 43 Cb -0.12 -3.12 0.02 0.00 -0.44 0.00 0.00 34.13 30.47 1x05 s GLU 43 CO -0.03 0.72 0.64 -3.47 0.95 0.00 0.00 175.26 174.07 1x05 n ASP 44 N 1.43 -6.71 -4.79 0.83 2.03 -1.26 -2.99 116.55 105.08 1x05 n ASP 44 Ca -0.15 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 54.85 1x05 n ASP 44 Cb 0.54 -3.69 0.13 0.00 -0.72 0.00 0.00 41.12 37.38 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x05 s PRO 45 N -3.01 1.22 -0.69 -0.67 0.04 -1.26 -3.60 135.00 127.03 1x05 s PRO 45 Ca 0.20 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.39 1x05 s PRO 45 Cb -0.04 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1x05 s PRO 45 CO 0.82 -2.15 0.72 0.00 0.04 0.00 0.00 177.00 176.43 1x05 s ALA 46 N -3.27 3.68 -0.01 8.56 0.00 -1.23 -4.68 121.76 124.80 1x05 s ALA 46 Ca 0.64 -2.72 -0.06 0.00 0.00 0.00 0.00 51.96 49.82 1x05 s ALA 46 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1x05 s ALA 46 CO 0.53 -2.32 0.13 0.71 0.00 0.00 0.00 175.76 174.81 1x05 s TYR 47 N 1.61 -0.01 -0.25 0.00 2.02 0.16 -2.29 117.35 118.58 1x05 s TYR 47 Ca 0.14 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 1x05 s TYR 47 Cb -0.19 -0.03 0.06 0.00 -0.40 0.00 0.00 41.96 41.40 1x05 s TYR 47 CO -0.01 -0.21 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.48 1x05 s LEU 48 N -0.90 3.33 0.00 -1.29 1.98 -1.02 -0.50 118.68 120.28 1x05 s LEU 48 Ca -0.10 -1.35 0.02 0.00 -2.89 0.00 0.00 54.13 49.81 1x05 s LEU 48 Cb -0.06 -1.52 -0.04 0.00 0.66 0.00 0.00 46.19 45.23 1x05 s LEU 48 CO 0.01 -0.18 -0.01 -1.00 -1.89 0.00 0.00 176.35 173.28 1x05 s HIS 49 N 1.13 3.04 0.03 5.38 3.76 0.42 -0.22 115.29 128.83 1x05 s HIS 49 Ca -0.08 0.06 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 1x05 s HIS 49 Cb -0.20 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1x05 s HIS 49 CO -0.05 0.45 -0.15 1.52 -0.85 0.00 0.00 174.74 175.65 1x05 s TYR 50 N -1.08 1.34 0.24 1.40 1.13 -0.91 0.16 117.35 119.62 1x05 s TYR 50 Ca 0.19 -0.34 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 1x05 s TYR 50 Cb -0.11 -0.81 -0.05 0.00 -1.10 0.00 0.00 41.96 39.89 1x05 s TYR 50 CO 0.10 0.03 0.01 0.71 -2.51 0.00 0.00 175.55 173.90 1x05 s TYR 51 N -0.74 1.57 0.15 -3.49 1.51 0.10 -0.46 117.35 115.99 1x05 s TYR 51 Ca 0.03 -0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 54.84 1x05 s TYR 51 Cb -0.08 -0.92 -0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1x05 s TYR 51 CO 0.01 -0.07 1.31 0.34 -1.11 0.00 0.00 175.55 176.03 1x05 s ASP 52 N -3.31 6.92 0.18 2.29 2.15 -1.26 -0.82 116.67 122.82 1x05 s ASP 52 Ca 0.30 2.31 0.03 0.00 0.43 0.00 0.00 52.55 55.62 1x05 s ASP 52 Cb 0.06 -2.60 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 1x05 s ASP 52 CO 0.09 -0.54 1.43 1.55 -0.17 0.00 0.00 175.17 177.53 1x05 h PRO 53 N 5.98 0.19 -0.42 4.34 0.13 -1.92 -3.01 132.00 137.29 1x05 h PRO 53 Ca -0.43 -0.19 0.12 0.00 -0.87 0.00 0.00 66.00 64.63 1x05 h PRO 53 Cb 1.21 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1x05 h PRO 53 CO 0.80 0.90 0.41 0.00 -0.23 0.00 0.00 178.00 179.87 1x05 h ALA 54 N 1.04 2.18 0.00 -0.56 0.00 -1.94 -3.45 119.26 116.53 1x05 h ALA 54 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x05 h ALA 54 Cb 1.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1x05 h ALA 54 CO 0.12 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1x05 n GLY 55 N -1.52 3.10 1.60 0.00 0.00 -1.14 -5.19 105.19 102.05 1x05 n GLY 55 Ca 0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 n ALA 56 N 0.00 -0.71 0.03 4.61 0.00 -1.24 -4.93 120.51 118.27 1x05 n ALA 56 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1x05 n ALA 56 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1x05 n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x05 n GLU 57 N -0.23 0.00 -2.43 0.00 2.13 -1.26 -4.94 120.64 113.91 1x05 n GLU 57 Ca -0.03 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.37 1x05 n GLU 57 Cb 0.25 -0.17 -0.04 0.00 0.27 0.00 0.00 31.44 31.76 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1x05 s ASP 58 N -5.24 7.16 0.07 4.31 -4.77 -1.26 -4.99 116.67 111.96 1x05 s ASP 58 Ca 0.00 2.18 -0.30 0.00 -3.30 0.00 0.00 52.55 51.13 1x05 s ASP 58 Cb 0.00 -2.61 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 1x05 s ASP 58 CO 0.00 -0.30 1.16 -2.16 0.70 0.00 0.00 175.17 174.57 1x05 s PRO 59 N -0.37 4.47 0.31 2.11 0.04 -1.26 -4.69 135.00 135.61 1x05 s PRO 59 Ca 0.51 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.32 1x05 s PRO 59 Cb -0.31 -3.35 0.82 0.00 0.04 0.00 0.00 34.50 31.70 1x05 s PRO 59 CO 0.36 -0.19 1.55 1.28 0.04 0.00 0.00 177.00 180.04 1x05 n LEU 60 N 3.72 -0.06 0.00 -3.56 7.99 0.39 -4.78 117.00 120.70 1x05 n LEU 60 Ca 0.08 1.67 -0.00 0.00 -0.01 0.00 0.00 56.01 57.75 1x05 n LEU 60 Cb 0.47 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1x05 n LEU 60 CO 0.55 -1.72 0.12 0.61 -1.51 0.00 0.00 177.39 175.44 1x05 n GLY 61 N -1.47 1.07 3.21 -0.72 0.00 -1.24 -5.06 105.19 100.99 1x05 n GLY 61 Ca 0.25 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1x05 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 62 N -1.14 1.22 -0.12 4.61 0.00 -1.26 -2.14 121.76 122.93 1x05 s ALA 62 Ca 0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.25 1x05 s ALA 62 Cb -0.00 1.39 0.04 0.00 0.00 0.00 0.00 23.12 24.55 1x05 s ALA 62 CO 0.01 -0.60 -0.02 0.42 0.00 0.00 0.00 175.76 175.56 1x05 s ILE 63 N -4.09 0.70 0.15 0.00 1.01 0.69 -4.96 121.20 114.71 1x05 s ILE 63 Ca 0.39 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 1x05 s ILE 63 Cb 0.06 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.54 1x05 s ILE 63 CO 0.14 0.18 1.72 -2.28 0.00 0.00 0.00 174.94 174.70 1x05 s HIS 64 N 1.82 2.62 -1.28 3.97 2.46 -1.26 -2.45 115.29 121.17 1x05 s HIS 64 Ca 0.03 0.27 0.13 0.00 0.47 0.00 0.00 55.06 55.97 1x05 s HIS 64 Cb -0.14 -4.09 0.32 0.00 -0.13 0.00 0.00 32.58 28.54 1x05 s HIS 64 CO -0.07 -4.27 1.23 1.28 -2.47 0.00 0.00 174.74 170.44 1x05 n LEU 65 N 4.75 2.92 0.07 8.88 4.77 -0.97 -4.16 117.00 133.26 1x05 n LEU 65 Ca 0.16 -1.77 -0.14 0.00 -0.03 0.00 0.00 56.01 54.23 1x05 n LEU 65 Cb 0.37 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1x05 n LEU 65 CO 0.64 0.70 0.51 0.03 -1.33 0.00 0.00 177.39 177.94 1x05 h ARG 66 N 2.56 -0.60 -0.40 3.23 3.08 -1.86 -3.25 114.38 117.15 1x05 h ARG 66 Ca 0.00 0.04 -0.30 0.00 0.07 0.00 0.00 59.98 59.79 1x05 h ARG 66 Cb 0.74 0.14 -0.30 0.00 0.08 0.00 0.00 29.97 30.62 1x05 h ARG 66 CO 0.00 -0.40 -0.82 0.41 -1.07 0.00 0.00 179.97 178.10 1x05 n GLY 67 N -1.41 4.55 3.74 0.04 0.00 -1.26 -4.90 105.19 105.95 1x05 n GLY 67 Ca -0.07 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -3.44 0.08 0.00 0.00 1.01 0.48 -4.93 120.40 113.60 1x05 s VAL 69 Ca 0.74 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1x05 s VAL 69 Cb -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1x05 s VAL 69 CO 0.55 -0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 1x05 s VAL 70 N -1.37 2.67 0.25 2.92 1.01 -1.26 -0.96 120.40 123.66 1x05 s VAL 70 Ca -0.14 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 1x05 s VAL 70 Cb -0.07 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1x05 s VAL 70 CO 0.02 0.46 0.63 0.28 0.00 0.00 0.00 175.10 176.50 1x05 s THR 71 N -0.79 0.00 0.19 3.92 -1.32 -0.88 -4.98 115.64 111.78 1x05 s THR 71 Ca 0.13 -0.99 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1x05 s THR 71 Cb -0.10 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1x05 s THR 71 CO 0.02 -0.02 -0.08 -0.44 -2.21 0.00 0.00 174.62 171.90 1x05 s SER 72 N -2.92 4.34 0.19 8.08 0.01 -1.26 -2.85 113.70 119.29 1x05 s SER 72 Ca 0.13 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1x05 s SER 72 Cb -0.04 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.45 1x05 s SER 72 CO 0.05 0.09 0.16 1.33 0.41 0.00 0.00 173.24 175.28 1x05 n VAL 73 N -0.07 0.00 -0.60 3.43 0.24 -1.26 -4.73 118.33 115.34 1x05 n VAL 73 Ca -0.10 -0.35 0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1x05 n VAL 73 Cb 0.56 -1.00 0.35 0.00 -1.47 0.00 0.00 33.84 32.28 1x05 n VAL 73 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1x05 n GLU 74 N -1.27 3.62 -3.62 7.34 0.28 -1.26 -4.90 120.64 120.83 1x05 n GLU 74 Ca 0.03 -2.86 -0.36 0.00 -0.16 0.00 0.00 57.16 53.81 1x05 n GLU 74 Cb 0.11 -1.85 -0.09 0.00 1.43 0.00 0.00 31.44 31.05 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x05 s SER 75 N -0.95 6.23 0.09 -1.84 0.15 -1.26 -5.05 113.70 111.07 1x05 s SER 75 Ca 0.50 0.25 -0.27 0.00 0.70 0.00 0.00 55.95 57.13 1x05 s SER 75 Cb 0.32 -2.13 0.09 0.00 -1.71 0.00 0.00 66.02 62.58 1x05 s SER 75 CO 0.25 0.07 1.07 0.54 1.20 0.00 0.00 173.24 176.38 1x05 s ASN 76 N 0.83 -0.14 -0.16 5.45 4.22 -1.26 -4.12 114.94 119.76 1x05 s ASN 76 Ca 0.11 -0.29 -0.09 0.00 -2.14 0.00 0.00 52.86 50.44 1x05 s ASN 76 Cb -0.13 0.37 0.03 0.00 1.28 0.00 0.00 41.25 42.80 1x05 s ASN 76 CO 0.03 -0.68 0.18 -1.20 -2.04 0.00 0.00 177.10 173.39 1x05 n SER 77 N -0.47 -1.33 -4.51 3.54 7.64 -1.26 -4.87 113.62 112.37 1x05 n SER 77 Ca -0.07 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 1x05 n SER 77 Cb 0.61 -4.35 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 1x05 n SER 77 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x05 s ASN 78 N -0.61 6.22 0.90 6.43 2.47 -1.26 -5.01 114.94 124.08 1x05 s ASN 78 Ca -0.20 -0.60 -0.09 0.00 0.42 0.00 0.00 52.86 52.39 1x05 s ASN 78 Cb 0.01 -2.48 0.14 0.00 -1.45 0.00 0.00 41.25 37.47 1x05 s ASN 78 CO 0.62 -1.55 0.31 0.61 -3.72 0.00 0.00 177.10 173.37 1x05 n GLY 79 N 5.29 -2.41 0.38 1.21 0.00 -1.26 -4.85 105.19 103.55 1x05 n GLY 79 Ca 0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1x05 n GLY 79 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x05 h ARG 80 N 0.00 -0.50 -6.86 1.61 2.47 -2.04 -3.40 114.38 105.65 1x05 h ARG 80 Ca -0.14 0.03 -0.50 0.00 -1.26 0.00 0.00 59.98 58.12 1x05 h ARG 80 Cb 0.47 0.11 0.02 0.00 -1.65 0.00 0.00 29.97 28.92 1x05 h ARG 80 CO 0.08 -0.33 0.46 0.15 0.56 0.00 0.00 179.97 180.89 1x05 s LYS 81 N -5.94 4.45 -0.31 0.04 1.02 -1.26 -5.00 119.74 112.75 1x05 s LYS 81 Ca -0.16 1.73 -0.20 0.00 0.02 0.00 0.00 55.97 57.36 1x05 s LYS 81 Cb 0.09 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 1x05 s LYS 81 CO 0.64 0.07 0.61 0.45 -0.92 0.00 0.00 175.35 176.20 1x05 s SER 82 N -1.09 6.48 0.23 2.83 0.15 -1.26 -4.83 113.70 116.20 1x05 s SER 82 Ca 0.49 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1x05 s SER 82 Cb -0.29 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x05 s SER 82 CO 0.37 -0.47 0.00 -0.62 1.20 0.00 0.00 173.24 173.72 1x05 n GLU 83 N 5.85 0.00 -3.71 5.44 -0.58 -1.26 -5.09 120.64 121.28 1x05 n GLU 83 Ca -0.02 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1x05 n GLU 83 Cb 0.49 -0.17 -0.16 0.00 -0.57 0.00 0.00 31.44 31.03 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x05 s GLU 84 N -2.00 0.01 0.00 3.49 2.02 -1.26 -5.05 118.70 115.91 1x05 s GLU 84 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.38 1x05 s GLU 84 Cb 0.00 -0.29 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1x05 s GLU 84 CO 0.00 -0.24 0.00 0.39 0.02 0.00 0.00 175.26 175.43 1x05 n GLU 85 N 4.75 2.34 -2.07 1.61 1.02 -1.26 -4.70 120.64 122.32 1x05 n GLU 85 Ca -0.16 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 1x05 n GLU 85 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x05 s ASN 86 N -1.00 6.62 0.48 1.62 0.01 -1.24 -4.66 114.94 116.77 1x05 s ASN 86 Ca 0.00 2.04 0.05 0.00 -0.71 0.00 0.00 52.86 54.24 1x05 s ASN 86 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1x05 s ASN 86 CO 0.00 -0.99 0.19 -0.76 -1.51 0.00 0.00 177.10 174.02 1x05 s LEU 87 N 4.30 2.73 -0.15 0.60 1.43 -1.26 -0.41 118.68 125.91 1x05 s LEU 87 Ca 0.71 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1x05 s LEU 87 Cb -0.30 -1.12 0.13 0.00 0.03 0.00 0.00 46.19 44.93 1x05 s LEU 87 CO 0.28 -0.81 1.02 0.72 0.23 0.00 0.00 176.35 177.79 1x05 s PHE 88 N -2.74 -0.32 -0.13 0.29 -0.71 -1.07 -4.15 117.98 109.15 1x05 s PHE 88 Ca 0.28 0.49 -0.05 0.00 -1.04 0.00 0.00 56.93 56.60 1x05 s PHE 88 Cb 0.02 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1x05 s PHE 88 CO 0.16 -0.34 0.07 -2.00 -1.34 0.00 0.00 175.22 171.77 1x05 s GLU 89 N -1.50 3.44 -0.29 1.99 2.56 -1.13 -2.59 118.70 121.18 1x05 s GLU 89 Ca 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.97 54.70 1x05 s GLU 89 Cb -0.01 -3.06 0.08 0.00 2.00 0.00 0.00 34.13 33.15 1x05 s GLU 89 CO -0.01 0.60 0.03 0.42 -0.56 0.00 0.00 175.26 175.73 1x05 s ILE 90 N -0.55 1.53 0.19 -3.70 1.01 -0.88 -2.07 121.20 116.72 1x05 s ILE 90 Ca 0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 1x05 s ILE 90 Cb -0.12 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 1x05 s ILE 90 CO 0.02 -0.43 0.94 -0.63 0.00 0.00 0.00 174.94 174.84 1x05 s ILE 91 N 1.33 4.25 0.00 2.92 1.01 -0.14 -2.96 121.20 127.61 1x05 s ILE 91 Ca 0.04 2.06 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1x05 s ILE 91 Cb -0.18 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1x05 s ILE 91 CO -0.13 0.43 0.00 0.35 0.00 0.00 0.00 174.94 175.59 1x05 n THR 92 N 1.99 0.00 0.23 2.92 -2.24 0.06 0.18 114.28 117.42 1x05 n THR 92 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1x05 n THR 92 Cb 0.48 -1.13 0.25 0.00 -2.10 0.00 0.00 70.33 67.84 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 h ALA 93 N -0.46 1.00 -0.07 6.98 0.00 -1.72 -2.74 119.26 122.24 1x05 h ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x05 h ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x05 h ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1x05 n ASP 94 N -3.09 2.20 0.00 0.00 2.03 -1.26 -4.90 116.55 111.53 1x05 n ASP 94 Ca 0.03 -1.74 0.00 0.00 0.52 0.00 0.00 54.79 53.61 1x05 n ASP 94 Cb 0.49 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x05 n GLU 95 N 0.71 0.00 -1.73 -0.67 1.02 -1.04 -4.99 120.64 113.95 1x05 n GLU 95 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1x05 n GLU 95 Cb 0.46 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 1x05 n GLU 95 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x05 n VAL 96 N -2.00 0.51 -4.36 2.62 0.31 -1.26 -4.54 118.33 109.60 1x05 n VAL 96 Ca 0.00 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.86 1x05 n VAL 96 Cb 0.00 -1.95 -0.09 0.00 -0.91 0.00 0.00 33.84 30.89 1x05 n VAL 96 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1x05 s HIS 97 N 0.58 3.11 -0.05 3.52 3.76 -1.26 -0.76 115.29 124.18 1x05 s HIS 97 Ca 0.70 0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1x05 s HIS 97 Cb -0.51 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.46 1x05 s HIS 97 CO 0.41 0.46 -0.06 0.71 -0.85 0.00 0.00 174.74 175.40 1x05 s TYR 98 N -0.95 0.92 -0.41 1.40 2.02 -1.15 -4.93 117.35 114.24 1x05 s TYR 98 Ca 0.15 -0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 1x05 s TYR 98 Cb -0.11 -0.78 0.05 0.00 -0.40 0.00 0.00 41.96 40.72 1x05 s TYR 98 CO 0.05 -0.23 0.27 -0.06 -1.57 0.00 0.00 175.55 174.01 1x05 s PHE 99 N 0.95 3.27 0.42 2.71 0.08 -1.26 -2.08 117.98 122.07 1x05 s PHE 99 Ca -0.10 -1.09 0.08 0.00 0.12 0.00 0.00 56.93 55.93 1x05 s PHE 99 Cb -0.14 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.53 1x05 s PHE 99 CO 0.00 -0.73 0.33 -0.51 -0.10 0.00 0.00 175.22 174.22 1x05 s LEU 100 N 1.55 3.32 -0.02 -0.37 2.01 -1.07 -2.00 118.68 122.09 1x05 s LEU 100 Ca 0.03 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 53.35 1x05 s LEU 100 Cb -0.21 -1.90 0.01 0.00 0.01 0.00 0.00 46.19 44.10 1x05 s LEU 100 CO 0.06 -0.64 -0.03 -1.58 1.01 0.00 0.00 176.35 175.17 1x05 s GLN 101 N -4.08 0.47 0.07 1.70 -0.44 -1.19 -2.60 119.66 113.57 1x05 s GLN 101 Ca 0.46 -0.06 0.03 0.00 -2.50 0.00 0.00 55.36 53.29 1x05 s GLN 101 Cb -0.02 -0.53 -0.04 0.00 -1.64 0.00 0.00 33.01 30.79 1x05 s GLN 101 CO 0.27 -0.03 0.07 0.00 0.50 0.00 0.00 175.29 176.09 1x05 s ALA 102 N 0.56 3.52 0.01 1.58 0.00 0.45 -3.53 121.76 124.35 1x05 s ALA 102 Ca -0.06 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1x05 s ALA 102 Cb -0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1x05 s ALA 102 CO -0.01 0.73 0.94 0.00 0.00 0.00 0.00 175.76 177.42 1x05 h ALA 103 N 3.47 -0.89 -2.25 0.00 0.00 -1.90 -3.30 119.26 114.40 1x05 h ALA 103 Ca -0.47 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 53.88 1x05 h ALA 103 Cb 1.17 0.14 0.04 0.00 0.00 0.00 0.00 17.79 19.13 1x05 h ALA 103 CO 0.64 -0.86 0.10 0.95 0.00 0.00 0.00 179.25 180.09 1x05 s THR 104 N -3.38 4.18 -0.08 0.00 -4.23 -1.26 -4.74 115.64 106.13 1x05 s THR 104 Ca -0.05 -0.01 0.24 0.00 -1.18 0.00 0.00 61.69 60.69 1x05 s THR 104 Cb 0.01 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.50 1x05 s THR 104 CO 0.15 -0.59 1.74 1.55 -0.54 0.00 0.00 174.62 176.93 1x05 h PRO 105 N 0.07 0.00 0.05 3.99 0.13 -1.98 -3.01 132.00 131.26 1x05 h PRO 105 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1x05 h PRO 105 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x05 h PRO 105 CO 0.60 0.16 -1.06 -0.22 -0.23 0.00 0.00 178.00 177.26 1x05 h LYS 106 N 0.00 0.37 0.66 0.86 1.63 -1.98 -3.30 116.57 114.81 1x05 h LYS 106 Ca -0.00 -0.46 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 1x05 h LYS 106 Cb 0.87 0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.66 1x05 h LYS 106 CO 0.02 1.15 -0.32 1.49 -3.45 0.00 0.00 179.45 178.35 1x05 h GLU 107 N 0.17 -0.85 -0.95 1.90 4.81 -1.93 0.95 114.58 118.69 1x05 h GLU 107 Ca -0.10 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.41 1x05 h GLU 107 Cb 1.72 0.19 -0.18 0.00 0.63 0.00 0.00 28.75 31.12 1x05 h GLU 107 CO 0.18 -0.56 -0.12 -2.13 -0.73 0.00 0.00 179.01 175.65 1x05 n ARG 108 N -5.46 -0.08 0.08 1.92 0.63 -1.17 0.48 116.66 113.06 1x05 n ARG 108 Ca -0.13 1.45 -0.13 0.00 -0.92 0.00 0.00 57.85 58.13 1x05 n ARG 108 Cb 0.36 -2.23 -0.08 0.00 0.45 0.00 0.00 32.46 30.96 1x05 n ARG 108 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1x05 h THR 109 N 0.00 0.95 -0.53 5.15 2.02 -1.57 -2.70 112.91 116.22 1x05 h THR 109 Ca 0.51 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.92 1x05 h THR 109 Cb 0.91 1.44 -0.11 0.00 -1.74 0.00 0.00 68.15 68.66 1x05 h THR 109 CO -0.94 0.19 -0.33 -0.33 0.37 0.00 0.00 175.52 174.48 1x05 h GLU 110 N -0.67 -0.18 -0.08 6.66 5.08 0.22 0.03 114.58 125.63 1x05 h GLU 110 Ca -0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1x05 h GLU 110 Cb 0.49 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1x05 h GLU 110 CO 0.04 -0.12 -0.46 -1.49 -1.00 0.00 0.00 179.01 175.98 1x05 h TRP 111 N -0.19 -1.37 -0.59 4.33 4.06 -0.01 1.59 115.95 123.78 1x05 h TRP 111 Ca 0.21 0.05 0.05 0.00 2.06 0.00 0.00 58.89 61.26 1x05 h TRP 111 Cb 0.55 0.61 -0.07 0.00 -1.00 0.00 0.00 29.16 29.24 1x05 h TRP 111 CO -0.61 -0.47 -0.35 -0.89 -3.56 0.00 0.00 178.44 172.56 1x05 n ILE 112 N -5.00 -0.40 -0.28 1.49 5.41 -0.40 0.12 119.36 120.30 1x05 n ILE 112 Ca -0.06 2.02 0.04 0.00 1.00 0.00 0.00 62.75 65.75 1x05 n ILE 112 Cb 0.33 -2.55 0.18 0.00 -0.71 0.00 0.00 39.64 36.88 1x05 n ILE 112 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x05 h LYS 113 N 0.00 0.68 0.27 0.38 1.57 -0.33 0.18 116.57 119.32 1x05 h LYS 113 Ca 0.09 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1x05 h LYS 113 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1x05 h LYS 113 CO -0.55 0.45 -0.46 0.00 -0.57 0.00 0.00 179.45 178.33 1x05 h ALA 114 N 1.48 -0.91 -0.65 3.86 0.00 0.94 0.61 119.26 124.59 1x05 h ALA 114 Ca 0.41 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1x05 h ALA 114 Cb 0.44 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1x05 h ALA 114 CO -0.28 -1.07 0.28 0.82 0.00 0.00 0.00 179.25 179.00 1x05 h ILE 115 N -0.79 0.81 0.55 0.00 2.04 0.18 -2.32 117.51 117.98 1x05 h ILE 115 Ca -0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1x05 h ILE 115 Cb 0.75 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1x05 h ILE 115 CO -0.17 0.09 -0.49 1.56 0.00 0.00 0.00 178.15 179.13 1x05 h GLN 116 N 0.49 -0.99 -0.98 2.37 4.20 0.27 0.28 115.11 120.75 1x05 h GLN 116 Ca 0.32 0.07 0.31 0.00 0.06 0.00 0.00 58.65 59.42 1x05 h GLN 116 Cb 0.37 0.23 -0.18 0.00 0.30 0.00 0.00 27.48 28.20 1x05 h GLN 116 CO -0.29 -0.66 0.22 1.98 -0.67 0.00 0.00 178.83 179.41 1x05 h MET 117 N -1.03 0.03 0.07 1.46 1.85 0.70 0.54 114.93 118.54 1x05 h MET 117 Ca -0.07 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1x05 h MET 117 Cb 0.88 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.91 1x05 h MET 117 CO -0.03 0.02 -0.03 0.00 -0.40 0.00 0.00 176.91 176.47 1x05 h ALA 118 N 1.97 -0.47 -0.82 0.39 0.00 -0.90 1.23 119.26 120.66 1x05 h ALA 118 Ca 0.68 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.66 1x05 h ALA 118 Cb 1.54 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.26 1x05 h ALA 118 CO -0.84 -0.47 -0.43 -1.13 0.00 0.00 0.00 179.25 176.38 1x05 n SER 119 N -2.47 -0.76 -0.05 0.00 3.41 0.94 0.13 113.62 114.83 1x05 n SER 119 Ca -0.01 1.45 -0.10 0.00 -0.26 0.00 0.00 58.87 59.94 1x05 n SER 119 Cb 0.04 -0.23 0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1x05 n SER 119 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1x05 h ARG 120 N 0.00 0.73 -6.47 4.33 -0.00 -0.07 -3.44 114.38 109.45 1x05 h ARG 120 Ca 0.18 -0.39 -0.42 0.00 -0.50 0.00 0.00 59.98 58.85 1x05 h ARG 120 Cb 0.38 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.38 1x05 h ARG 120 CO -0.78 1.01 -1.07 -2.37 0.00 0.00 0.00 179.97 176.75 1x05 n THR 121 N -4.03 -3.18 -1.33 2.04 5.66 0.42 -4.75 114.28 109.12 1x05 n THR 121 Ca -0.02 0.02 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1x05 n THR 121 Cb 0.54 -2.87 -0.09 0.00 -1.55 0.00 0.00 70.33 66.36 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x05 n GLY 122 N -1.01 3.89 0.00 1.09 0.00 -1.25 -4.56 105.19 103.35 1x05 n GLY 122 Ca -0.22 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1x05 n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x05 n LYS 123 N 2.03 0.00 -3.68 1.61 3.00 -1.26 -4.89 118.16 114.97 1x05 n LYS 123 Ca 0.52 0.28 -0.33 0.00 -0.00 0.00 0.00 58.31 58.79 1x05 n LYS 123 Cb 0.62 -0.88 -0.05 0.00 0.00 0.00 0.00 35.03 34.72 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 s SER 124 N -2.09 6.52 0.00 3.14 0.15 -1.26 -4.97 113.70 115.18 1x05 s SER 124 Ca 0.00 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1x05 s SER 124 Cb 0.00 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1x05 s SER 124 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x05 n GLY 125 N 0.49 2.84 2.86 9.45 0.00 -1.26 -4.83 105.19 114.75 1x05 n GLY 125 Ca -0.06 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1x05 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x05 n PRO 126 N 0.22 2.22 -1.65 1.61 -0.04 -1.26 -4.93 135.00 131.16 1x05 n PRO 126 Ca 0.00 -2.14 -0.34 0.00 -0.04 0.00 0.00 63.50 60.98 1x05 n PRO 126 Cb 0.00 -3.02 0.07 0.00 -0.04 0.00 0.00 33.50 30.50 1x05 n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x05 s SER 127 N 3.98 4.69 -0.37 3.54 1.04 -1.26 -5.00 113.70 120.33 1x05 s SER 127 Ca 0.53 2.23 0.01 0.00 0.48 0.00 0.00 55.95 59.19 1x05 s SER 127 Cb 0.14 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.79 1x05 s SER 127 CO 0.01 -1.92 0.11 -0.44 0.98 0.00 0.00 173.24 171.98 1x05 s SER 128 N -2.15 4.97 0.00 7.02 0.01 -1.26 -5.21 113.70 117.07 1x05 s SER 128 Ca 0.72 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1x05 s SER 128 Cb -0.26 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x05 s SER 128 CO 0.42 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.23