#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 -0.50 -0.19 1.61 0.15 -1.26 -5.14 113.70 108.37 1x05 s SER 2 Ca 0.00 -0.48 -0.05 0.00 0.70 0.00 0.00 55.95 56.12 1x05 s SER 2 Cb 0.00 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1x05 s SER 2 CO 0.00 -0.03 0.00 -0.44 1.20 0.00 0.00 173.24 173.97 1x05 s SER 3 N 1.27 4.90 -0.18 5.45 0.01 -1.26 -4.84 113.70 119.05 1x05 s SER 3 Ca 0.22 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.18 1x05 s SER 3 Cb 0.08 -1.83 0.05 0.00 0.21 0.00 0.00 66.02 64.52 1x05 s SER 3 CO -0.11 0.08 0.25 0.61 0.41 0.00 0.00 173.24 174.49 1x05 n GLY 4 N 4.11 -5.36 2.83 3.44 0.00 -1.26 -5.02 105.19 103.93 1x05 n GLY 4 Ca -0.17 1.82 -0.29 0.00 0.00 0.00 0.00 46.02 47.38 1x05 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x05 s SER 5 N -0.66 3.23 0.33 1.61 0.15 -1.26 -5.13 113.70 111.98 1x05 s SER 5 Ca -0.29 -0.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.30 1x05 s SER 5 Cb 0.02 -0.86 -0.08 0.00 -1.71 0.00 0.00 66.02 63.39 1x05 s SER 5 CO 0.78 -0.26 0.73 -0.44 1.20 0.00 0.00 173.24 175.25 1x05 s SER 6 N 1.65 6.71 0.00 5.45 0.01 -1.26 -4.91 113.70 121.35 1x05 s SER 6 Ca -0.02 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1x05 s SER 6 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x05 s SER 6 CO -0.07 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1x05 n GLY 7 N -0.56 -1.09 3.13 3.44 0.00 -1.26 -5.15 105.19 103.70 1x05 n GLY 7 Ca 0.03 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.53 1x05 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x05 s VAL 8 N 0.00 0.81 0.83 1.61 1.01 -1.26 -5.12 120.40 118.27 1x05 s VAL 8 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 1x05 s VAL 8 Cb 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 36.38 35.25 1x05 s VAL 8 CO 0.00 -0.41 -0.53 -0.38 0.00 0.00 0.00 175.10 173.78 1x05 n ILE 9 N 1.10 0.05 -4.01 2.22 2.08 -1.26 -4.94 119.36 114.59 1x05 n ILE 9 Ca -0.20 -0.49 -0.31 0.00 0.56 0.00 0.00 62.75 62.31 1x05 n ILE 9 Cb 0.56 -0.03 -0.15 0.00 -0.75 0.00 0.00 39.64 39.26 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 6.63 3.00 0.00 1.39 1.98 -1.26 -5.12 118.68 125.31 1x05 s LEU 10 Ca 0.47 -1.27 0.00 0.00 -2.89 0.00 0.00 54.13 50.43 1x05 s LEU 10 Cb -0.29 -1.37 0.00 0.00 0.66 0.00 0.00 46.19 45.19 1x05 s LEU 10 CO 0.77 -0.21 0.00 0.29 -1.89 0.00 0.00 176.35 175.31 1x05 n LYS 11 N 4.55 -1.21 -0.06 1.98 5.02 -1.26 -4.98 118.16 122.20 1x05 n LYS 11 Ca -0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 1x05 n LYS 11 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 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 -1.59 0.61 0.09 1.97 -0.58 -1.26 -4.23 120.64 115.66 1x05 n GLU 12 Ca 0.00 0.06 0.10 0.00 -0.42 0.00 0.00 57.16 56.91 1x05 n GLU 12 Cb 0.00 -1.25 0.44 0.00 -0.57 0.00 0.00 31.44 30.05 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 -2.80 0.14 -0.29 3.49 0.00 -1.26 -1.62 120.64 118.30 1x05 n GLU 13 Ca -0.22 0.38 0.07 0.00 0.00 0.00 0.00 57.16 57.39 1x05 n GLU 13 Cb 0.75 -1.76 0.20 0.00 0.00 0.00 0.00 31.44 30.63 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 -2.02 0.67 -1.78 -1.84 3.72 -1.26 -4.50 117.46 110.45 1x05 n PHE 14 Ca 0.02 -0.65 -0.37 0.00 -0.05 0.00 0.00 57.45 56.41 1x05 n PHE 14 Cb 0.20 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.14 1.88 -1.76 -1.08 5.12 -0.64 -4.66 116.66 115.65 1x05 n ARG 15 Ca 0.16 -2.36 0.00 0.00 -1.93 0.00 0.00 57.85 53.71 1x05 n ARG 15 Cb 0.61 -3.37 0.00 0.00 -1.16 0.00 0.00 32.46 28.54 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 5.14 -0.58 3.28 -0.13 0.00 -1.22 -3.34 105.19 108.33 1x05 n GLY 16 Ca 0.48 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.51 1.41 0.55 1.61 0.11 -1.26 -5.04 120.40 114.28 1x05 s VAL 17 Ca 0.00 -2.02 -0.08 0.00 -2.93 0.00 0.00 61.98 56.96 1x05 s VAL 17 Cb 0.00 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1x05 s VAL 17 CO 0.00 -0.60 0.90 -0.63 -3.33 0.00 0.00 175.10 171.44 1x05 s ILE 18 N -2.86 4.81 -0.01 7.04 1.01 -1.26 -2.89 121.20 127.03 1x05 s ILE 18 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1x05 s ILE 18 Cb -0.01 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1x05 s ILE 18 CO 0.03 -0.99 -0.01 2.30 0.00 0.00 0.00 174.94 176.28 1x05 n ILE 19 N -2.49 0.06 -3.66 2.92 -0.00 -0.94 -4.90 119.36 110.35 1x05 n ILE 19 Ca 0.03 -0.02 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1x05 n ILE 19 Cb 0.55 -0.55 -0.09 0.00 -0.00 0.00 0.00 39.64 39.55 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 -2.02 0.60 0.10 6.28 2.36 -1.25 -5.08 119.74 120.73 1x05 s LYS 20 Ca -0.01 1.00 -0.15 0.00 -2.55 0.00 0.00 55.97 54.26 1x05 s LYS 20 Cb 0.00 0.12 0.03 0.00 -1.05 0.00 0.00 37.83 36.94 1x05 s LYS 20 CO 0.02 -0.14 0.36 1.14 1.55 0.00 0.00 175.35 178.29 1x05 s GLN 21 N 1.30 1.00 0.00 4.03 -2.07 -1.26 -1.66 119.66 120.99 1x05 s GLN 21 Ca -0.08 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.78 1x05 s GLN 21 Cb -0.06 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1x05 s GLN 21 CO -0.13 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 173.88 1x05 n GLY 22 N -0.04 -0.43 3.16 2.60 0.00 -0.90 -5.02 105.19 104.55 1x05 n GLY 22 Ca -0.16 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 0.60 2.26 -0.51 0.00 1.43 0.33 -4.86 118.68 117.93 1x05 s LEU 24 Ca -0.04 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1x05 s LEU 24 Cb -0.05 0.02 0.13 0.00 0.03 0.00 0.00 46.19 46.32 1x05 s LEU 24 CO -0.04 -0.56 0.42 -0.76 0.23 0.00 0.00 176.35 175.64 1x05 s LEU 25 N -3.08 5.90 -0.09 1.79 2.01 -1.24 -0.18 118.68 123.79 1x05 s LEU 25 Ca 0.17 -1.91 -0.24 0.00 0.01 0.00 0.00 54.13 52.16 1x05 s LEU 25 Cb 0.06 -2.09 -0.03 0.00 0.01 0.00 0.00 46.19 44.15 1x05 s LEU 25 CO -0.01 -0.74 0.75 -0.75 1.01 0.00 0.00 176.35 176.60 1x05 s LYS 26 N 1.38 4.40 0.61 1.70 2.20 -1.21 -2.76 119.74 126.08 1x05 s LYS 26 Ca 0.05 0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 56.58 1x05 s LYS 26 Cb -0.27 -3.48 0.13 0.00 -1.51 0.00 0.00 37.83 32.69 1x05 s LYS 26 CO 0.00 -0.05 0.84 1.04 -0.36 0.00 0.00 175.35 176.82 1x05 n GLN 27 N 4.18 -0.12 -1.09 4.03 1.13 -0.95 -4.15 117.38 120.40 1x05 n GLN 27 Ca 0.01 -2.11 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 1x05 n GLN 27 Cb 0.51 -0.61 0.00 0.00 0.11 0.00 0.00 30.24 30.25 1x05 n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x05 n GLY 28 N -1.28 0.28 2.39 1.08 0.00 -1.26 -4.82 105.19 101.58 1x05 n GLY 28 Ca 0.13 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 1x05 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x05 n HIS 29 N 9.00 2.12 -0.01 1.61 1.44 -1.26 -4.09 115.22 124.03 1x05 n HIS 29 Ca 0.00 -2.61 0.05 0.00 -2.01 0.00 0.00 57.72 53.16 1x05 n HIS 29 Cb 0.00 -1.90 -0.09 0.00 0.12 0.00 0.00 29.99 28.12 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x05 n ARG 30 N 2.12 0.49 -0.92 -1.40 5.12 -1.26 -5.11 116.66 115.70 1x05 n ARG 30 Ca 0.62 -0.10 0.12 0.00 -1.93 0.00 0.00 57.85 56.57 1x05 n ARG 30 Cb 0.36 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 1x05 n ARG 30 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1x05 n ARG 31 N -1.95 -1.85 -0.16 5.56 5.12 -1.26 -4.97 116.66 117.16 1x05 n ARG 31 Ca -0.03 1.22 0.02 0.00 -1.93 0.00 0.00 57.85 57.13 1x05 n ARG 31 Cb 0.35 -2.26 -0.01 0.00 -1.16 0.00 0.00 32.46 29.39 1x05 n ARG 31 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x05 n LYS 32 N -3.12 -0.32 -0.53 5.56 4.76 -1.26 -4.69 118.16 118.55 1x05 n LYS 32 Ca 0.01 0.21 -0.21 0.00 -2.87 0.00 0.00 58.31 55.45 1x05 n LYS 32 Cb 0.42 -0.39 0.16 0.00 -1.84 0.00 0.00 35.03 33.38 1x05 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x05 n ASN 33 N -3.79 -2.99 -4.69 4.39 4.13 -1.26 -4.95 115.26 106.10 1x05 n ASN 33 Ca 0.00 -0.38 -0.29 0.00 1.68 0.00 0.00 54.58 55.60 1x05 n ASN 33 Cb 0.07 -0.80 0.14 0.00 -1.54 0.00 0.00 39.78 37.66 1x05 n ASN 33 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1x05 s TRP 34 N -2.09 2.37 -0.18 3.10 0.52 -1.26 -5.02 118.94 116.37 1x05 s TRP 34 Ca 0.40 0.77 0.01 0.00 0.02 0.00 0.00 56.10 57.30 1x05 s TRP 34 Cb -0.07 -3.47 0.03 0.00 -1.15 0.00 0.00 33.47 28.81 1x05 s TRP 34 CO 0.39 -2.41 -0.13 0.15 0.02 0.00 0.00 176.95 174.97 1x05 s LYS 35 N -5.38 2.29 0.52 4.98 -0.14 -1.26 -5.06 119.74 115.70 1x05 s LYS 35 Ca 0.65 -0.74 -0.22 0.00 -1.36 0.00 0.00 55.97 54.29 1x05 s LYS 35 Cb -0.13 -2.33 -0.06 0.00 -1.68 0.00 0.00 37.83 33.64 1x05 s LYS 35 CO 0.53 -0.32 1.36 0.08 -0.76 0.00 0.00 175.35 176.23 1x05 s VAL 36 N 1.41 2.14 -0.12 3.17 1.01 -1.26 -3.30 120.40 123.45 1x05 s VAL 36 Ca 0.02 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1x05 s VAL 36 Cb -0.14 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1x05 s VAL 36 CO -0.10 0.00 0.50 -0.13 0.00 0.00 0.00 175.10 175.37 1x05 s ARG 37 N -2.82 0.72 -0.63 2.72 3.00 0.75 -4.53 118.95 118.17 1x05 s ARG 37 Ca 0.69 0.39 -0.24 0.00 0.00 0.00 0.00 55.73 56.57 1x05 s ARG 37 Cb -0.40 0.34 0.05 0.00 0.00 0.00 0.00 34.95 34.94 1x05 s ARG 37 CO 0.48 -0.16 1.00 0.21 0.00 0.00 0.00 175.30 176.83 1x05 s LYS 38 N -0.45 3.21 -0.30 3.54 2.20 0.30 0.12 119.74 128.36 1x05 s LYS 38 Ca -0.06 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.88 1x05 s LYS 38 Cb -0.03 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 1x05 s LYS 38 CO 0.04 -1.73 0.37 -0.06 -0.36 0.00 0.00 175.35 173.61 1x05 s PHE 39 N 4.24 3.23 -0.16 4.03 0.40 -1.16 0.55 117.98 129.10 1x05 s PHE 39 Ca 0.27 0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.82 1x05 s PHE 39 Cb -0.14 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.76 1x05 s PHE 39 CO 0.14 -0.31 -0.07 0.42 0.70 0.00 0.00 175.22 176.11 1x05 s ILE 40 N 2.06 3.55 -0.10 0.64 1.01 0.41 -2.12 121.20 126.64 1x05 s ILE 40 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1x05 s ILE 40 Cb -0.16 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1x05 s ILE 40 CO 0.11 0.49 -0.03 -0.22 0.00 0.00 0.00 174.94 175.29 1x05 s LEU 41 N 0.55 3.39 -0.06 2.97 2.96 -0.67 -0.56 118.68 127.27 1x05 s LEU 41 Ca -0.05 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1x05 s LEU 41 Cb -0.15 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.80 1x05 s LEU 41 CO 0.03 0.32 0.12 0.00 -1.32 0.00 0.00 176.35 175.50 1x05 s ARG 42 N -0.52 0.07 -0.10 1.98 3.03 -0.88 -2.21 118.95 120.33 1x05 s ARG 42 Ca 0.08 0.33 -0.06 0.00 2.03 0.00 0.00 55.73 58.12 1x05 s ARG 42 Cb -0.12 -0.19 -0.04 0.00 -1.03 0.00 0.00 34.95 33.57 1x05 s ARG 42 CO 0.02 -0.16 0.14 -1.83 -1.13 0.00 0.00 175.30 172.34 1x05 s GLU 43 N 1.13 3.42 -0.53 3.89 -1.05 -1.14 -1.48 118.70 122.94 1x05 s GLU 43 Ca -0.09 -0.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.44 1x05 s GLU 43 Cb -0.12 -3.16 0.02 0.00 -0.44 0.00 0.00 34.13 30.43 1x05 s GLU 43 CO -0.05 0.76 0.63 -0.25 0.95 0.00 0.00 175.26 177.30 1x05 n ASP 44 N 1.82 -7.71 -4.77 0.83 9.92 -1.26 -4.05 116.55 111.32 1x05 n ASP 44 Ca -0.18 0.28 -0.29 0.00 -0.53 0.00 0.00 54.79 54.07 1x05 n ASP 44 Cb 0.55 -5.08 0.14 0.00 -0.64 0.00 0.00 41.12 36.08 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1x05 s PRO 45 N -2.78 1.13 -0.67 -0.24 0.04 -1.21 -3.45 135.00 127.82 1x05 s PRO 45 Ca 0.18 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1x05 s PRO 45 Cb -0.05 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.81 1x05 s PRO 45 CO 0.77 -2.20 0.65 0.00 0.04 0.00 0.00 177.00 176.26 1x05 s ALA 46 N -3.29 3.76 0.12 8.56 0.00 -1.25 -4.69 121.76 124.98 1x05 s ALA 46 Ca 0.64 -2.78 -0.06 0.00 0.00 0.00 0.00 51.96 49.76 1x05 s ALA 46 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1x05 s ALA 46 CO 0.53 -2.20 0.17 0.71 0.00 0.00 0.00 175.76 174.97 1x05 s TYR 47 N 1.29 0.47 -0.20 0.00 2.02 -0.55 -2.95 117.35 117.43 1x05 s TYR 47 Ca 0.11 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1x05 s TYR 47 Cb -0.21 -0.20 0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1x05 s TYR 47 CO -0.01 -0.59 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.18 1x05 s LEU 48 N -2.96 1.84 -0.11 -1.29 1.98 -1.08 -2.06 118.68 114.99 1x05 s LEU 48 Ca 0.15 -0.90 -0.05 0.00 -2.89 0.00 0.00 54.13 50.43 1x05 s LEU 48 Cb 0.05 -0.91 -0.04 0.00 0.66 0.00 0.00 46.19 45.95 1x05 s LEU 48 CO -0.03 -0.24 0.09 -1.00 -1.89 0.00 0.00 176.35 173.27 1x05 s HIS 49 N 1.61 3.43 -0.13 5.38 3.76 0.28 -1.26 115.29 128.37 1x05 s HIS 49 Ca -0.02 0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 55.28 1x05 s HIS 49 Cb -0.17 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.64 1x05 s HIS 49 CO -0.07 0.61 -0.11 1.52 -0.85 0.00 0.00 174.74 175.84 1x05 s TYR 50 N -0.88 1.79 0.51 1.40 1.13 -1.25 0.15 117.35 120.20 1x05 s TYR 50 Ca 0.14 -0.95 0.07 0.00 -1.41 0.00 0.00 57.07 54.91 1x05 s TYR 50 Cb -0.12 -1.39 0.02 0.00 -1.10 0.00 0.00 41.96 39.37 1x05 s TYR 50 CO 0.03 -0.58 0.45 0.71 -2.51 0.00 0.00 175.55 173.64 1x05 s TYR 51 N 1.60 1.95 0.14 -3.49 1.51 0.19 -1.87 117.35 117.38 1x05 s TYR 51 Ca 0.05 -0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 55.27 1x05 s TYR 51 Cb -0.13 -2.04 -0.07 0.00 -0.11 0.00 0.00 41.96 39.62 1x05 s TYR 51 CO -0.09 -0.45 0.51 0.34 -1.11 0.00 0.00 175.55 174.75 1x05 s ASP 52 N -4.28 6.76 -0.08 2.29 -1.08 -1.26 -0.54 116.67 118.48 1x05 s ASP 52 Ca 0.43 0.99 -0.26 0.00 -0.52 0.00 0.00 52.55 53.19 1x05 s ASP 52 Cb -0.03 -2.25 -0.22 0.00 -1.46 0.00 0.00 42.92 38.96 1x05 s ASP 52 CO 0.26 0.10 0.96 1.55 0.52 0.00 0.00 175.17 178.56 1x05 h PRO 53 N 3.51 -0.03 -0.95 4.34 0.13 -1.93 -3.26 132.00 133.80 1x05 h PRO 53 Ca -0.49 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.94 1x05 h PRO 53 Cb 1.19 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1x05 h PRO 53 CO 0.66 0.66 0.34 0.00 -0.23 0.00 0.00 178.00 179.43 1x05 h ALA 54 N 0.13 1.59 0.00 -0.56 0.00 -1.95 -3.45 119.26 115.03 1x05 h ALA 54 Ca -0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1x05 h ALA 54 Cb 0.71 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x05 h ALA 54 CO 0.01 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.06 1x05 n GLY 55 N -1.36 4.43 3.72 0.00 0.00 -1.23 -5.19 105.19 105.57 1x05 n GLY 55 Ca 0.27 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 56 N -1.45 -1.74 -0.14 4.61 0.00 -1.26 -4.78 121.76 117.00 1x05 s ALA 56 Ca 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 1x05 s ALA 56 Cb 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1x05 s ALA 56 CO 0.00 -1.02 -0.30 -1.91 0.00 0.00 0.00 175.76 172.54 1x05 n GLU 57 N -0.46 0.45 -3.64 0.00 4.07 -1.26 -5.00 120.64 114.80 1x05 n GLU 57 Ca -0.06 0.18 -0.20 0.00 -0.06 0.00 0.00 57.16 57.01 1x05 n GLU 57 Cb 0.61 -1.28 -0.02 0.00 -0.06 0.00 0.00 31.44 30.68 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1x05 s ASP 58 N -5.79 5.44 0.14 4.31 1.11 -1.26 -5.08 116.67 115.54 1x05 s ASP 58 Ca -0.25 -0.45 -0.30 0.00 0.18 0.00 0.00 52.55 51.73 1x05 s ASP 58 Cb 0.03 -0.95 -0.07 0.00 1.07 0.00 0.00 42.92 43.00 1x05 s ASP 58 CO 0.36 -0.44 1.13 -2.16 1.18 0.00 0.00 175.17 175.24 1x05 s PRO 59 N -4.08 4.54 0.55 8.23 0.04 -1.26 -4.83 135.00 138.19 1x05 s PRO 59 Ca 0.44 1.74 0.41 0.00 0.04 0.00 0.00 61.00 63.63 1x05 s PRO 59 Cb -0.07 -3.30 1.61 0.00 0.04 0.00 0.00 34.50 32.78 1x05 s PRO 59 CO 0.28 -0.04 1.72 -0.07 0.04 0.00 0.00 177.00 178.94 1x05 h LEU 60 N 5.62 0.00 0.00 -3.56 3.38 -1.73 -3.45 115.31 115.57 1x05 h LEU 60 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1x05 h LEU 60 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x05 h LEU 60 CO 0.75 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1x05 n GLY 61 N -1.82 -0.59 3.23 0.83 0.00 -1.26 -5.06 105.19 100.52 1x05 n GLY 61 Ca 0.32 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.00 -0.41 -0.13 4.61 0.00 -1.26 -3.80 121.76 119.76 1x05 s ALA 62 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1x05 s ALA 62 Cb 0.00 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1x05 s ALA 62 CO 0.00 -0.52 -0.16 0.42 0.00 0.00 0.00 175.76 175.50 1x05 s ILE 63 N -3.66 1.64 0.06 0.00 1.01 -0.39 -4.95 121.20 114.91 1x05 s ILE 63 Ca 0.03 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1x05 s ILE 63 Cb 0.03 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1x05 s ILE 63 CO -0.10 0.47 1.76 -2.28 0.00 0.00 0.00 174.94 174.79 1x05 s HIS 64 N 1.16 2.06 -0.27 3.97 2.46 -1.26 -2.64 115.29 120.78 1x05 s HIS 64 Ca -0.02 0.06 0.11 0.00 0.47 0.00 0.00 55.06 55.68 1x05 s HIS 64 Cb -0.14 -4.06 -0.14 0.00 -0.13 0.00 0.00 32.58 28.10 1x05 s HIS 64 CO -0.06 -4.44 0.35 1.28 -2.47 0.00 0.00 174.74 169.40 1x05 n LEU 65 N 6.23 0.26 -0.12 8.88 4.77 -1.15 -4.20 117.00 131.67 1x05 n LEU 65 Ca 0.17 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1x05 n LEU 65 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1x05 n LEU 65 CO 0.64 0.06 0.43 -1.14 -1.33 0.00 0.00 177.39 176.06 1x05 n ARG 66 N -1.56 -0.12 -2.44 3.23 0.63 -1.24 -2.21 116.66 112.95 1x05 n ARG 66 Ca 0.00 1.02 -0.27 0.00 -0.92 0.00 0.00 57.85 57.68 1x05 n ARG 66 Cb 0.22 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1x05 n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x05 n GLY 67 N -1.07 6.02 3.95 5.14 0.00 -1.26 -4.83 105.19 113.13 1x05 n GLY 67 Ca 0.01 -2.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.03 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 -2.82 1.95 -0.04 0.00 1.01 0.56 -4.94 120.40 116.11 1x05 s VAL 69 Ca 0.54 -1.78 0.07 0.00 0.00 0.00 0.00 61.98 60.81 1x05 s VAL 69 Cb -0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1x05 s VAL 69 CO 0.41 -0.12 -0.24 -0.69 0.00 0.00 0.00 175.10 174.45 1x05 s VAL 70 N -1.50 2.18 0.11 2.92 1.01 -1.26 -1.43 120.40 122.43 1x05 s VAL 70 Ca 0.13 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1x05 s VAL 70 Cb -0.08 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1x05 s VAL 70 CO 0.06 0.58 0.55 0.28 0.00 0.00 0.00 175.10 176.57 1x05 s THR 71 N -0.44 0.02 0.01 3.92 -1.32 -0.78 -4.99 115.64 112.06 1x05 s THR 71 Ca 0.05 -0.17 -0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1x05 s THR 71 Cb -0.12 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 1x05 s THR 71 CO 0.01 -0.09 0.10 -0.44 -2.21 0.00 0.00 174.62 171.98 1x05 s SER 72 N -2.44 5.76 0.00 8.08 0.01 -1.26 -2.00 113.70 121.84 1x05 s SER 72 Ca -0.01 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1x05 s SER 72 Cb -0.00 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1x05 s SER 72 CO -0.08 0.25 0.00 1.33 0.41 0.00 0.00 173.24 175.15 1x05 n VAL 73 N 1.02 0.00 0.02 3.43 0.24 -1.24 -4.74 118.33 117.06 1x05 n VAL 73 Ca -0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.17 1x05 n VAL 73 Cb 0.52 -1.24 -0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1x05 n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1x05 n GLU 74 N 0.00 0.06 -0.45 7.34 2.13 -1.26 -5.03 120.64 123.43 1x05 n GLU 74 Ca 0.00 0.02 0.06 0.00 0.66 0.00 0.00 57.16 57.90 1x05 n GLU 74 Cb 0.00 -0.52 -0.02 0.00 0.27 0.00 0.00 31.44 31.17 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x05 n SER 75 N -3.42 -5.10 -0.74 4.31 2.88 -1.26 -4.92 113.62 105.37 1x05 n SER 75 Ca -0.02 0.48 0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1x05 n SER 75 Cb 0.06 -1.42 -0.01 0.00 -0.75 0.00 0.00 64.21 62.09 1x05 n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x05 n ASN 76 N -3.75 -4.42 -2.82 -3.46 3.02 -1.26 -4.96 115.26 97.61 1x05 n ASN 76 Ca 0.00 0.21 -0.02 0.00 -0.03 0.00 0.00 54.58 54.75 1x05 n ASN 76 Cb 0.21 -0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 1x05 n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x05 n SER 77 N -3.53 -5.66 0.00 6.41 7.64 -1.26 -4.96 113.62 112.26 1x05 n SER 77 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1x05 n SER 77 Cb 0.09 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1x05 n SER 77 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x05 n ASN 78 N 1.29 -0.04 -0.26 6.43 2.85 -1.26 -5.09 115.26 119.18 1x05 n ASN 78 Ca -0.12 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1x05 n ASN 78 Cb 0.27 0.36 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x05 n GLY 79 N -1.32 0.64 0.00 8.20 0.00 -1.26 -5.13 105.19 106.32 1x05 n GLY 79 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1x05 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 n ARG 80 N -0.18 0.00 -0.57 1.61 5.12 -1.26 -5.16 116.66 116.21 1x05 n ARG 80 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1x05 n ARG 80 Cb 0.09 0.00 0.16 0.00 -1.16 0.00 0.00 32.46 31.55 1x05 n ARG 80 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1x05 n LYS 81 N -0.03 -2.15 -1.51 5.56 -0.00 -1.26 -4.48 118.16 114.30 1x05 n LYS 81 Ca 0.00 -0.63 -0.38 0.00 -0.00 0.00 0.00 58.31 57.30 1x05 n LYS 81 Cb 0.00 -1.56 -0.13 0.00 -0.00 0.00 0.00 35.03 33.34 1x05 n LYS 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x05 n SER 82 N -1.52 0.63 -0.06 -5.58 7.64 -1.26 -4.75 113.62 108.72 1x05 n SER 82 Ca 0.04 -0.03 -0.03 0.00 1.01 0.00 0.00 58.87 59.86 1x05 n SER 82 Cb 0.47 -1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1x05 n SER 82 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1x05 h GLU 83 N 13.54 0.00 -3.34 1.43 4.81 -2.02 -3.47 114.58 125.53 1x05 h GLU 83 Ca -0.08 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.83 1x05 h GLU 83 Cb 1.29 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.31 1x05 h GLU 83 CO 1.35 0.08 -0.70 -1.21 -0.73 0.00 0.00 179.01 177.79 1x05 s GLU 84 N -1.87 -0.03 0.00 1.92 2.02 -1.26 -5.13 118.70 114.35 1x05 s GLU 84 Ca -0.07 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1x05 s GLU 84 Cb 0.01 -0.34 0.00 0.00 0.10 0.00 0.00 34.13 33.90 1x05 s GLU 84 CO 0.13 -0.25 0.00 0.39 0.02 0.00 0.00 175.26 175.55 1x05 n GLU 85 N 4.78 -0.78 -2.40 1.61 -0.58 -1.26 -4.38 120.64 117.63 1x05 n GLU 85 Ca -0.15 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 1x05 n GLU 85 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.35 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1x05 s ASN 86 N -1.69 6.44 0.46 1.62 0.01 -1.26 -4.85 114.94 115.66 1x05 s ASN 86 Ca 0.00 0.85 0.05 0.00 -0.71 0.00 0.00 52.86 53.05 1x05 s ASN 86 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1x05 s ASN 86 CO 0.00 -1.34 0.06 -0.76 -1.51 0.00 0.00 177.10 173.55 1x05 s LEU 87 N 5.11 2.70 -0.09 0.60 1.43 -1.26 0.48 118.68 127.65 1x05 s LEU 87 Ca 0.59 -1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.01 1x05 s LEU 87 Cb -0.13 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.20 1x05 s LEU 87 CO 0.31 -0.65 0.60 0.72 0.23 0.00 0.00 176.35 177.56 1x05 s PHE 88 N -2.76 -0.58 -0.13 0.29 -0.12 -0.69 -3.72 117.98 110.28 1x05 s PHE 88 Ca 0.26 1.11 -0.07 0.00 -0.05 0.00 0.00 56.93 58.17 1x05 s PHE 88 Cb 0.05 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1x05 s PHE 88 CO 0.14 -0.50 0.14 -2.00 -0.05 0.00 0.00 175.22 172.94 1x05 s GLU 89 N -0.84 3.54 -0.27 1.99 2.12 -0.85 -2.46 118.70 121.93 1x05 s GLU 89 Ca -0.09 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 1x05 s GLU 89 Cb -0.02 -3.22 0.08 0.00 0.26 0.00 0.00 34.13 31.24 1x05 s GLU 89 CO 0.07 0.72 0.05 0.42 -0.54 0.00 0.00 175.26 175.98 1x05 s ILE 90 N -0.84 0.94 0.24 -3.70 1.01 -0.82 -1.86 121.20 116.17 1x05 s ILE 90 Ca 0.14 -1.18 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1x05 s ILE 90 Cb -0.12 -1.56 -0.09 0.00 0.01 0.00 0.00 42.46 40.71 1x05 s ILE 90 CO 0.03 -0.45 0.90 -0.63 0.00 0.00 0.00 174.94 174.78 1x05 s ILE 91 N 1.62 4.19 0.49 2.92 1.01 -0.51 -2.80 121.20 128.12 1x05 s ILE 91 Ca 0.04 1.90 0.07 0.00 0.00 0.00 0.00 60.65 62.67 1x05 s ILE 91 Cb -0.18 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1x05 s ILE 91 CO -0.17 0.40 0.45 0.42 0.00 0.00 0.00 174.94 176.05 1x05 s THR 92 N -1.30 2.18 0.35 2.92 -4.23 -0.47 0.21 115.64 115.30 1x05 s THR 92 Ca 0.42 -1.35 0.33 0.00 -1.18 0.00 0.00 61.69 59.91 1x05 s THR 92 Cb -0.23 -2.53 0.33 0.00 1.34 0.00 0.00 72.50 71.40 1x05 s THR 92 CO 0.28 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.36 1x05 h ALA 93 N 0.79 1.07 -0.02 3.99 0.00 -1.72 1.39 119.26 124.76 1x05 h ALA 93 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1x05 h ALA 93 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x05 h ALA 93 CO 0.55 -0.07 -0.11 -3.47 0.00 0.00 0.00 179.25 176.15 1x05 n ASP 94 N -2.71 1.88 0.00 0.00 -0.08 -1.26 -4.91 116.55 109.48 1x05 n ASP 94 Ca -0.02 -1.52 0.00 0.00 -1.51 0.00 0.00 54.79 51.74 1x05 n ASP 94 Cb 0.13 0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x05 n GLU 95 N 0.31 -0.02 -1.90 -0.67 1.02 0.48 -4.97 120.64 114.88 1x05 n GLU 95 Ca 0.15 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1x05 n GLU 95 Cb 0.43 -2.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.10 1x05 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x05 s VAL 96 N -3.30 2.73 -0.17 2.62 1.01 -1.26 -4.56 120.40 117.48 1x05 s VAL 96 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1x05 s VAL 96 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1x05 s VAL 96 CO 0.00 0.02 0.13 -1.00 0.00 0.00 0.00 175.10 174.24 1x05 s HIS 97 N 1.81 3.45 -0.11 5.22 3.76 -1.26 -1.36 115.29 126.80 1x05 s HIS 97 Ca 0.73 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 56.02 1x05 s HIS 97 Cb -0.43 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.20 1x05 s HIS 97 CO 0.32 0.42 -0.14 0.71 -0.85 0.00 0.00 174.74 175.21 1x05 s TYR 98 N -0.10 1.90 -0.40 1.40 2.02 -1.12 -4.93 117.35 116.12 1x05 s TYR 98 Ca 0.10 -0.91 -0.11 0.00 -0.37 0.00 0.00 57.07 55.78 1x05 s TYR 98 Cb -0.11 -1.39 0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1x05 s TYR 98 CO 0.00 -0.49 0.25 -0.06 -1.57 0.00 0.00 175.55 173.68 1x05 s PHE 99 N 1.11 3.27 0.02 2.71 0.40 -1.26 -1.94 117.98 122.29 1x05 s PHE 99 Ca -0.04 -1.13 0.04 0.00 -0.60 0.00 0.00 56.93 55.20 1x05 s PHE 99 Cb -0.14 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 1x05 s PHE 99 CO -0.03 -0.73 -0.06 -0.51 0.70 0.00 0.00 175.22 174.58 1x05 s LEU 100 N 1.53 3.18 -0.19 -0.37 2.01 -1.03 -2.25 118.68 121.56 1x05 s LEU 100 Ca 0.03 -0.17 -0.06 0.00 0.01 0.00 0.00 54.13 53.94 1x05 s LEU 100 Cb -0.21 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 44.11 1x05 s LEU 100 CO 0.05 0.27 0.03 -1.58 1.01 0.00 0.00 176.35 176.13 1x05 s GLN 101 N -1.54 3.78 0.14 1.70 0.74 -1.11 -1.70 119.66 121.67 1x05 s GLN 101 Ca 0.18 -0.44 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 1x05 s GLN 101 Cb -0.11 -3.15 -0.06 0.00 1.10 0.00 0.00 33.01 30.79 1x05 s GLN 101 CO 0.09 0.12 0.42 0.00 -0.55 0.00 0.00 175.29 175.37 1x05 s ALA 102 N 0.74 3.73 0.02 1.58 0.00 0.18 -3.73 121.76 124.28 1x05 s ALA 102 Ca 0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1x05 s ALA 102 Cb -0.14 -2.22 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 1x05 s ALA 102 CO 0.02 0.61 1.18 0.00 0.00 0.00 0.00 175.76 177.57 1x05 h ALA 103 N 3.00 -0.87 -2.03 0.00 0.00 -1.91 -3.36 119.26 114.10 1x05 h ALA 103 Ca -0.47 -0.21 -0.47 0.00 0.00 0.00 0.00 54.91 53.76 1x05 h ALA 103 Cb 1.17 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1x05 h ALA 103 CO 0.70 -0.85 -0.43 0.95 0.00 0.00 0.00 179.25 179.62 1x05 s THR 104 N -4.80 4.47 -1.43 0.00 -4.23 -1.26 -4.86 115.64 103.53 1x05 s THR 104 Ca -0.14 -1.15 0.23 0.00 -1.18 0.00 0.00 61.69 59.44 1x05 s THR 104 Cb 0.02 -3.52 0.39 0.00 1.34 0.00 0.00 72.50 70.73 1x05 s THR 104 CO 0.46 -0.26 1.74 -0.81 -0.54 0.00 0.00 174.62 175.21 1x05 n PRO 105 N -1.41 0.32 -0.05 3.99 -0.04 -1.26 -2.46 135.00 134.09 1x05 n PRO 105 Ca -0.05 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1x05 n PRO 105 Cb 0.58 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1x05 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x05 n LYS 106 N -1.29 0.65 0.20 0.54 4.81 -1.26 -4.23 118.16 117.58 1x05 n LYS 106 Ca 0.11 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 1x05 n LYS 106 Cb 0.18 -1.70 -0.07 0.00 0.02 0.00 0.00 35.03 33.45 1x05 n LYS 106 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x05 h GLU 107 N 0.00 -0.52 -0.93 1.64 4.57 -1.88 -1.46 114.58 116.01 1x05 h GLU 107 Ca -0.38 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.16 1x05 h GLU 107 Cb 2.09 0.12 -0.17 0.00 -0.16 0.00 0.00 28.75 30.62 1x05 h GLU 107 CO 0.06 -0.21 0.27 -2.13 -1.18 0.00 0.00 179.01 175.83 1x05 n ARG 108 N -5.19 -0.06 -0.03 1.92 0.00 -1.18 0.11 116.66 112.23 1x05 n ARG 108 Ca -0.10 1.33 -0.13 0.00 -0.00 0.00 0.00 57.85 58.95 1x05 n ARG 108 Cb 0.29 -2.25 -0.10 0.00 0.00 0.00 0.00 32.46 30.39 1x05 n ARG 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1x05 h THR 109 N 0.00 1.46 0.14 5.15 2.02 -1.71 -2.99 112.91 116.99 1x05 h THR 109 Ca 0.68 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1x05 h THR 109 Cb 1.65 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 70.40 1x05 h THR 109 CO -0.79 0.39 -0.41 -0.33 0.37 0.00 0.00 175.52 174.76 1x05 h GLU 110 N -0.49 -0.63 -0.74 6.66 5.08 0.18 -1.75 114.58 122.90 1x05 h GLU 110 Ca -0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1x05 h GLU 110 Cb 0.67 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.96 1x05 h GLU 110 CO 0.01 -0.42 -0.56 -1.49 -1.00 0.00 0.00 179.01 175.55 1x05 h TRP 111 N -0.65 -1.76 -0.46 4.33 -0.00 -0.10 1.59 115.95 118.89 1x05 h TRP 111 Ca 0.02 0.11 0.04 0.00 -0.00 0.00 0.00 58.89 59.06 1x05 h TRP 111 Cb 0.67 0.86 -0.06 0.00 -0.00 0.00 0.00 29.16 30.64 1x05 h TRP 111 CO -0.35 -0.42 -0.30 0.82 -0.00 0.00 0.00 178.44 178.19 1x05 h ILE 112 N -0.17 0.00 -0.64 1.49 2.04 -1.26 1.58 117.51 120.55 1x05 h ILE 112 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.12 1x05 h ILE 112 Cb 0.50 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1x05 h ILE 112 CO -0.79 0.00 0.43 0.11 0.00 0.00 0.00 178.15 177.90 1x05 h LYS 113 N -0.03 0.33 0.40 2.37 1.57 -0.16 0.38 116.57 121.43 1x05 h LYS 113 Ca 0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1x05 h LYS 113 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1x05 h LYS 113 CO -0.45 0.22 -0.19 0.00 -0.57 0.00 0.00 179.45 178.45 1x05 h ALA 114 N 1.69 -0.54 -0.26 3.86 0.00 1.25 0.41 119.26 125.67 1x05 h ALA 114 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x05 h ALA 114 Cb 0.73 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1x05 h ALA 114 CO -0.08 -0.76 0.13 0.82 0.00 0.00 0.00 179.25 179.36 1x05 h ILE 115 N -0.61 1.13 -0.35 0.00 2.04 0.23 -2.47 117.51 117.48 1x05 h ILE 115 Ca -0.05 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1x05 h ILE 115 Cb 0.46 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1x05 h ILE 115 CO 0.09 0.13 -0.03 1.56 0.00 0.00 0.00 178.15 179.90 1x05 h GLN 116 N 0.30 0.06 -0.52 2.37 4.20 -0.16 0.71 115.11 122.07 1x05 h GLN 116 Ca 0.09 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1x05 h GLN 116 Cb 0.09 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.77 1x05 h GLN 116 CO -0.01 0.04 -0.05 1.98 -0.67 0.00 0.00 178.83 180.11 1x05 h MET 117 N 0.06 0.06 0.44 1.46 1.85 0.11 1.23 114.93 120.14 1x05 h MET 117 Ca 0.17 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 1x05 h MET 117 Cb 0.25 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.27 1x05 h MET 117 CO -0.31 0.04 -0.21 0.00 -0.40 0.00 0.00 176.91 176.03 1x05 h ALA 118 N 1.49 -0.59 -1.04 0.39 0.00 -0.88 -2.97 119.26 115.65 1x05 h ALA 118 Ca 0.26 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.26 1x05 h ALA 118 Cb 0.40 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1x05 h ALA 118 CO -0.48 -0.63 0.70 0.66 0.00 0.00 0.00 179.25 179.50 1x05 h SER 119 N -1.01 0.29 0.16 0.00 4.64 0.80 1.25 113.55 119.68 1x05 h SER 119 Ca -0.06 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1x05 h SER 119 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1x05 h SER 119 CO 0.10 0.06 -0.14 0.03 -0.87 0.00 0.00 176.83 176.02 1x05 h ARG 120 N 0.26 0.00 0.00 4.77 2.47 0.17 -3.44 114.38 118.61 1x05 h ARG 120 Ca 0.55 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1x05 h ARG 120 Cb 1.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.98 1x05 h ARG 120 CO -0.18 0.14 0.00 0.25 0.56 0.00 0.00 179.97 180.73 1x05 n THR 121 N -4.29 0.00 0.07 2.04 -2.24 0.43 -3.75 114.28 106.54 1x05 n THR 121 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1x05 n THR 121 Cb 0.21 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.32 1x05 n THR 121 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1x05 h GLY 122 N 0.00 0.06 0.00 3.38 0.00 -1.87 -3.48 103.07 101.16 1x05 h GLY 122 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1x05 h GLY 122 CO 0.00 0.13 0.00 1.17 0.00 0.00 0.00 176.54 177.84 1x05 n LYS 123 N -3.38 0.00 0.00 4.80 3.00 -1.25 -4.25 118.16 117.09 1x05 n LYS 123 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1x05 n LYS 123 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.99 1x05 n LYS 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x05 n SER 124 N 3.95 0.00 0.00 3.14 7.64 -1.26 -5.06 113.62 122.02 1x05 n SER 124 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1x05 n SER 124 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 125 N 0.28 -1.14 3.78 0.23 0.00 -1.26 -5.15 105.19 101.94 1x05 n GLY 125 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1x05 n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x05 s PRO 126 N -0.11 4.10 0.42 1.61 0.04 -1.26 -4.82 135.00 134.98 1x05 s PRO 126 Ca 0.00 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1x05 s PRO 126 Cb 0.00 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1x05 s PRO 126 CO 0.00 -0.20 0.68 0.45 0.04 0.00 0.00 177.00 177.97 1x05 s SER 127 N -1.62 6.23 -0.02 6.66 0.15 -1.26 -5.00 113.70 118.84 1x05 s SER 127 Ca 0.59 0.67 0.20 0.00 0.70 0.00 0.00 55.95 58.12 1x05 s SER 127 Cb -0.21 -2.10 -0.29 0.00 -1.71 0.00 0.00 66.02 61.71 1x05 s SER 127 CO 0.27 -0.47 0.57 -1.54 1.20 0.00 0.00 173.24 173.26 1x05 n SER 128 N -2.05 0.50 0.00 5.45 3.41 -1.26 -5.32 113.62 114.35 1x05 n SER 128 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1x05 n SER 128 Cb 0.56 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49