#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2baz s GLN 2 N 0.00 2.02 -0.12 2.12 -2.07 -1.26 -5.10 119.66 115.25 2baz s GLN 2 Ca 0.00 -1.70 -0.00 0.00 -1.82 0.00 0.00 55.36 51.84 2baz s GLN 2 Cb 0.00 -1.93 0.03 0.00 -1.09 0.00 0.00 33.01 30.02 2baz s GLN 2 CO 0.00 0.22 -0.08 0.42 -1.32 0.00 0.00 175.29 174.53 2baz s ILE 3 N -2.48 1.13 0.00 3.63 1.01 -1.26 -4.29 121.20 118.94 2baz s ILE 3 Ca 0.33 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 2baz s ILE 3 Cb -0.02 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2baz s ILE 3 CO 0.18 0.36 0.92 -0.54 0.00 0.00 0.00 174.94 175.87 2baz s LYS 4 N 1.66 4.55 -0.04 2.79 1.02 -1.17 -4.93 119.74 123.62 2baz s LYS 4 Ca 0.05 1.32 0.04 0.00 0.02 0.00 0.00 55.97 57.39 2baz s LYS 4 Cb -0.13 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2baz s LYS 4 CO -0.09 0.01 -0.15 -1.50 -0.92 0.00 0.00 175.35 172.71 2baz s ILE 5 N 0.81 1.25 -0.06 2.17 2.07 -1.26 -1.46 121.20 124.72 2baz s ILE 5 Ca 0.48 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 59.16 2baz s ILE 5 Cb -0.21 -1.09 -0.02 0.00 0.13 0.00 0.00 42.46 41.27 2baz s ILE 5 CO 0.26 0.37 -0.15 -0.75 -1.91 0.00 0.00 174.94 172.77 2baz s LYS 6 N 0.20 2.58 -0.03 3.50 2.20 0.53 -4.98 119.74 123.74 2baz s LYS 6 Ca -0.06 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2baz s LYS 6 Cb -0.12 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2baz s LYS 6 CO 0.02 0.58 0.04 0.71 -0.36 0.00 0.00 175.35 176.34 2baz s TYR 7 N -0.61 3.21 0.34 4.03 2.02 -1.26 -1.10 117.35 123.98 2baz s TYR 7 Ca 0.09 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 2baz s TYR 7 Cb -0.11 -1.74 0.68 0.00 -0.40 0.00 0.00 41.96 40.39 2baz s TYR 7 CO 0.01 0.52 1.91 1.25 -1.57 0.00 0.00 175.55 177.67 2baz h LEU 8 N 4.48 0.76 -7.83 -1.29 5.85 -1.58 -3.46 115.31 112.24 2baz h LEU 8 Ca -0.50 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.36 2baz h LEU 8 Cb 1.19 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2baz h LEU 8 CO 0.59 0.45 0.35 1.51 -0.34 0.00 0.00 178.44 181.00 2baz s ASP 9 N -5.99 -0.22 0.03 1.25 1.47 -1.26 -5.03 116.67 106.91 2baz s ASP 9 Ca -0.10 -0.51 0.03 0.00 1.18 0.00 0.00 52.55 53.15 2baz s ASP 9 Cb 0.20 0.61 0.16 0.00 -0.34 0.00 0.00 42.92 43.56 2baz s ASP 9 CO 0.79 -1.13 1.11 -1.84 0.68 0.00 0.00 175.17 174.77 2baz n GLU 10 N -0.46 0.01 0.01 2.11 0.00 -1.26 -2.26 120.64 118.78 2baz n GLU 10 Ca -0.05 0.48 0.11 0.00 0.00 0.00 0.00 57.16 57.70 2baz n GLU 10 Cb 0.60 -1.54 -0.02 0.00 0.00 0.00 0.00 31.44 30.49 2baz n GLU 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2baz n THR 11 N -1.56 0.07 -1.99 3.84 -2.24 -1.26 -4.96 114.28 106.18 2baz n THR 11 Ca 0.00 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 2baz n THR 11 Cb 0.02 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2baz n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2baz s GLN 12 N -3.13 4.00 0.03 -0.78 -1.52 -0.96 -4.93 119.66 112.38 2baz s GLN 12 Ca 0.05 2.26 -0.30 0.00 -1.95 0.00 0.00 55.36 55.42 2baz s GLN 12 Cb 0.15 -2.82 -0.07 0.00 -0.22 0.00 0.00 33.01 30.05 2baz s GLN 12 CO 0.82 -0.50 1.59 0.99 -0.25 0.00 0.00 175.29 177.94 2baz s THR 13 N -1.21 3.29 -0.26 -0.19 2.01 -1.26 -4.93 115.64 113.09 2baz s THR 13 Ca 0.56 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 2baz s THR 13 Cb -0.40 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2baz s THR 13 CO 0.53 -0.01 1.37 -0.13 -0.69 0.00 0.00 174.62 175.69 2baz s ARG 14 N 2.77 3.94 -0.02 4.92 3.00 -1.26 -4.85 118.95 127.45 2baz s ARG 14 Ca 0.71 1.42 0.03 0.00 0.00 0.00 0.00 55.73 57.90 2baz s ARG 14 Cb -0.37 -3.90 0.14 0.00 0.00 0.00 0.00 34.95 30.82 2baz s ARG 14 CO 0.30 -1.09 0.93 0.44 0.00 0.00 0.00 175.30 175.89 2baz n ILE 15 N 6.11 0.34 0.00 1.52 -5.35 -1.26 -4.29 119.36 116.43 2baz n ILE 15 Ca 0.16 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2baz n ILE 15 Cb 0.46 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 2baz n ILE 15 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2baz n ASN 16 N 0.00 0.00 0.00 7.28 6.94 -1.26 -3.21 115.26 125.01 2baz n ASN 16 Ca 0.05 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.67 2baz n ASN 16 Cb 0.26 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.01 2baz n ASN 16 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2baz n LYS 17 N -0.61 0.24 -4.24 -3.83 0.00 -1.26 -4.89 118.16 103.57 2baz n LYS 17 Ca 0.00 0.12 -0.18 0.00 -0.00 0.00 0.00 58.31 58.24 2baz n LYS 17 Cb 0.00 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.40 2baz n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2baz s MET 18 N -2.39 0.83 0.00 -1.58 0.00 -1.20 -4.91 119.30 110.06 2baz s MET 18 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 55.69 54.99 2baz s MET 18 Cb 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 34.83 34.10 2baz s MET 18 CO 0.17 0.19 0.00 0.39 0.00 0.00 0.00 175.02 175.77 2baz n GLU 19 N 1.60 0.00 0.00 3.16 1.02 -1.26 -5.00 120.64 120.16 2baz n GLU 19 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2baz n GLU 19 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 2baz n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2baz n GLN 20 N 0.00 2.04 0.00 3.49 0.00 -1.26 -5.03 117.38 116.61 2baz n GLN 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2baz n GLN 20 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 30.24 29.24 2baz n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2baz n GLY 21 N 2.74 1.28 3.77 2.61 0.00 -1.26 -5.13 105.19 109.21 2baz n GLY 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2baz n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2baz s ASP 22 N -0.45 5.35 0.55 1.61 -0.00 -1.26 -4.98 116.67 117.50 2baz s ASP 22 Ca 0.00 2.03 -0.21 0.00 -0.00 0.00 0.00 52.55 54.37 2baz s ASP 22 Cb 0.00 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.32 2baz s ASP 22 CO 0.00 -1.46 1.35 0.26 -0.00 0.00 0.00 175.17 175.32 2baz s TRP 23 N -2.19 2.27 -0.21 4.23 0.52 -1.26 -4.93 118.94 117.36 2baz s TRP 23 Ca 0.68 1.38 -0.10 0.00 0.02 0.00 0.00 56.10 58.08 2baz s TRP 23 Cb -0.21 -3.80 -0.05 0.00 -1.15 0.00 0.00 33.47 28.27 2baz s TRP 23 CO 0.37 -2.91 0.14 0.42 0.02 0.00 0.00 176.95 174.99 2baz s ILE 24 N -1.31 5.39 0.31 2.03 1.01 0.38 -4.84 121.20 124.18 2baz s ILE 24 Ca 0.72 0.20 -0.28 0.00 0.00 0.00 0.00 60.65 61.29 2baz s ILE 24 Cb -0.40 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 2baz s ILE 24 CO 0.47 0.41 1.12 -1.81 0.00 0.00 0.00 174.94 175.14 2baz s ASP 25 N 0.55 7.07 0.09 3.58 1.01 -1.26 -1.16 116.67 126.55 2baz s ASP 25 Ca 0.08 2.30 0.09 0.00 0.71 0.00 0.00 52.55 55.73 2baz s ASP 25 Cb -0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2baz s ASP 25 CO -0.00 -0.28 -0.21 -0.76 0.21 0.00 0.00 175.17 174.12 2baz s LEU 26 N -1.74 2.53 0.12 1.23 1.43 0.76 -4.94 118.68 118.07 2baz s LEU 26 Ca 0.48 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 2baz s LEU 26 Cb -0.32 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2baz s LEU 26 CO 0.41 0.20 -0.19 -0.13 0.23 0.00 0.00 176.35 176.87 2baz s ARG 27 N -1.87 1.12 0.28 1.70 0.52 -1.26 -2.10 118.95 117.35 2baz s ARG 27 Ca 0.16 -1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 2baz s ARG 27 Cb -0.10 -1.25 -0.12 0.00 0.52 0.00 0.00 34.95 34.00 2baz s ARG 27 CO 0.07 0.28 1.59 0.00 0.02 0.00 0.00 175.30 177.26 2baz n ALA 28 N 0.84 2.48 1.46 2.13 0.00 -0.54 -4.27 120.51 122.62 2baz n ALA 28 Ca -0.18 0.38 0.15 0.00 0.00 0.00 0.00 53.44 53.79 2baz n ALA 28 Cb 0.55 -2.46 0.70 0.00 0.00 0.00 0.00 19.45 18.25 2baz n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2baz n ALA 29 N 2.24 2.63 -3.88 0.00 0.00 0.10 -1.32 120.51 120.29 2baz n ALA 29 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 2baz n ALA 29 Cb 0.36 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.41 2baz n ALA 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2baz s GLU 30 N -2.48 1.23 0.13 0.00 -1.05 -1.26 -4.85 118.70 110.41 2baz s GLU 30 Ca 0.30 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 2baz s GLU 30 Cb 0.20 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 34.17 2baz s GLU 30 CO 0.46 -0.57 1.22 -0.51 0.95 0.00 0.00 175.26 176.81 2baz s ASP 31 N -3.39 7.05 -0.05 0.83 1.11 -1.26 -3.54 116.67 117.42 2baz s ASP 31 Ca 0.22 2.16 -0.00 0.00 0.18 0.00 0.00 52.55 55.11 2baz s ASP 31 Cb -0.02 -2.59 0.03 0.00 1.07 0.00 0.00 42.92 41.40 2baz s ASP 31 CO 0.04 -0.44 -0.00 -0.69 1.18 0.00 0.00 175.17 175.26 2baz s VAL 32 N 0.48 0.30 -0.18 -1.27 1.01 0.86 -4.95 120.40 116.65 2baz s VAL 32 Ca 0.56 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 2baz s VAL 32 Cb -0.32 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2baz s VAL 32 CO 0.33 0.21 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 2baz s ALA 33 N 1.45 2.93 -0.09 5.51 0.00 -1.26 0.10 121.76 130.39 2baz s ALA 33 Ca -0.03 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2baz s ALA 33 Cb -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.38 2baz s ALA 33 CO -0.03 -0.04 -0.17 0.42 0.00 0.00 0.00 175.76 175.95 2baz s ILE 34 N 0.81 1.53 0.55 0.00 1.01 0.32 -5.02 121.20 120.40 2baz s ILE 34 Ca -0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 2baz s ILE 34 Cb -0.15 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2baz s ILE 34 CO 0.02 0.44 0.94 -0.54 0.00 0.00 0.00 174.94 175.80 2baz s LYS 35 N 0.69 3.64 0.26 2.79 3.01 -1.26 -0.93 119.74 127.94 2baz s LYS 35 Ca -0.13 0.60 -0.30 0.00 -1.01 0.00 0.00 55.97 55.13 2baz s LYS 35 Cb -0.16 -2.19 -0.13 0.00 -1.01 0.00 0.00 37.83 34.33 2baz s LYS 35 CO 0.03 -0.39 1.33 1.17 0.51 0.00 0.00 175.35 178.00 2baz n LYS 36 N -2.36 1.95 -2.23 1.68 4.81 -1.26 -1.71 118.16 119.03 2baz n LYS 36 Ca 0.04 0.69 -0.19 0.00 -0.87 0.00 0.00 58.31 57.98 2baz n LYS 36 Cb 0.54 -2.30 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 2baz n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2baz n ASP 37 N 1.76 -5.53 -4.54 3.14 8.00 0.22 -4.94 116.55 114.66 2baz n ASP 37 Ca 0.10 0.07 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 2baz n ASP 37 Cb 0.32 -4.60 -0.10 0.00 -0.02 0.00 0.00 41.12 36.72 2baz n ASP 37 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2baz s GLU 38 N -4.74 1.96 -0.04 -1.24 8.01 -0.69 -4.93 118.70 117.03 2baz s GLU 38 Ca 0.00 -1.17 -0.00 0.00 0.01 0.00 0.00 54.97 53.80 2baz s GLU 38 Cb 0.00 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.61 2baz s GLU 38 CO 0.00 0.47 0.03 0.12 0.01 0.00 0.00 175.26 175.89 2baz s PHE 39 N -1.35 3.18 -0.22 1.61 5.36 -1.26 -1.19 117.98 124.10 2baz s PHE 39 Ca 0.21 0.17 -0.13 0.00 -0.96 0.00 0.00 56.93 56.22 2baz s PHE 39 Cb -0.10 -1.74 0.07 0.00 -0.34 0.00 0.00 43.02 40.91 2baz s PHE 39 CO 0.13 0.50 0.54 0.21 -1.46 0.00 0.00 175.22 175.13 2baz s LYS 40 N -1.34 0.55 -0.48 10.12 2.47 0.40 -5.01 119.74 126.45 2baz s LYS 40 Ca 0.18 0.95 -0.24 0.00 -1.56 0.00 0.00 55.97 55.30 2baz s LYS 40 Cb -0.12 0.09 0.03 0.00 -1.46 0.00 0.00 37.83 36.37 2baz s LYS 40 CO 0.08 -0.14 0.87 -0.51 0.16 0.00 0.00 175.35 175.80 2baz s LEU 41 N 1.34 4.15 -0.24 5.43 1.43 -1.26 -1.07 118.68 128.45 2baz s LEU 41 Ca -0.08 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 52.65 2baz s LEU 41 Cb -0.06 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2baz s LEU 41 CO -0.14 -1.04 0.83 -0.69 0.23 0.00 0.00 176.35 175.54 2baz s VAL 42 N 3.60 4.84 0.24 -1.59 1.01 -0.07 -4.84 120.40 123.59 2baz s VAL 42 Ca 0.32 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 2baz s VAL 42 Cb -0.12 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 2baz s VAL 42 CO 0.23 -0.07 1.44 -2.84 0.00 0.00 0.00 175.10 173.86 2baz s PRO 43 N 2.82 4.27 0.00 2.72 0.02 -1.26 -0.20 135.00 143.36 2baz s PRO 43 Ca 0.35 2.29 0.19 0.00 0.02 0.00 0.00 61.00 63.84 2baz s PRO 43 Cb -0.15 -3.12 0.05 0.00 0.02 0.00 0.00 34.50 31.30 2baz s PRO 43 CO 0.07 -0.42 0.99 1.28 -0.33 0.00 0.00 177.00 178.60 2baz n LEU 44 N 2.42 2.04 -1.22 -5.54 4.77 -0.78 0.03 117.00 118.72 2baz n LEU 44 Ca 0.07 -0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 55.05 2baz n LEU 44 Cb 0.40 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2baz n LEU 44 CO 0.60 0.37 -0.15 0.61 -1.33 0.00 0.00 177.39 177.49 2baz n GLY 45 N 1.19 1.57 3.16 -0.72 0.00 -1.26 -4.47 105.19 104.67 2baz n GLY 45 Ca 0.09 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2baz n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2baz s VAL 46 N -2.49 1.16 -0.02 1.61 -7.23 -1.26 -1.28 120.40 110.88 2baz s VAL 46 Ca 0.00 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2baz s VAL 46 Cb 0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2baz s VAL 46 CO 0.00 -0.09 -0.08 0.00 -0.31 0.00 0.00 175.10 174.62 2baz s ALA 47 N -1.04 0.76 0.07 1.32 0.00 -0.26 -0.83 121.76 121.79 2baz s ALA 47 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2baz s ALA 47 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2baz s ALA 47 CO 0.02 0.13 -0.06 -1.64 0.00 0.00 0.00 175.76 174.20 2baz s MET 48 N 0.14 0.67 -0.35 0.00 -1.94 -1.26 -0.34 119.30 116.22 2baz s MET 48 Ca -0.02 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 52.89 2baz s MET 48 Cb -0.07 -0.18 0.09 0.00 2.01 0.00 0.00 34.83 36.68 2baz s MET 48 CO 0.00 -0.00 0.08 -2.00 -0.01 0.00 0.00 175.02 173.09 2baz s GLU 49 N -2.90 1.92 0.76 2.03 2.12 -0.53 -4.12 118.70 117.97 2baz s GLU 49 Ca 0.02 -1.69 -0.11 0.00 0.36 0.00 0.00 54.97 53.54 2baz s GLU 49 Cb -0.01 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 31.12 2baz s GLU 49 CO -0.03 -0.89 1.09 -0.51 -0.54 0.00 0.00 175.26 174.37 2baz s LEU 50 N 1.07 2.77 0.66 2.70 1.43 -1.26 -3.04 118.68 123.00 2baz s LEU 50 Ca 0.05 1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2baz s LEU 50 Cb -0.21 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 41.97 2baz s LEU 50 CO -0.05 -1.73 1.27 -2.84 0.23 0.00 0.00 176.35 173.23 2baz s PRO 51 N -5.17 2.50 0.33 1.29 0.02 -1.26 -4.90 135.00 127.80 2baz s PRO 51 Ca 0.60 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.32 2baz s PRO 51 Cb -0.14 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 2baz s PRO 51 CO 0.54 -1.62 1.46 -1.91 -0.33 0.00 0.00 177.00 175.14 2baz n GLU 52 N -2.04 2.49 -0.99 5.54 2.13 -1.26 -2.01 120.64 124.51 2baz n GLU 52 Ca 0.15 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.85 2baz n GLU 52 Cb 0.49 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2baz n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2baz n GLY 53 N 1.15 0.58 3.62 8.31 0.00 -1.26 -5.02 105.19 112.56 2baz n GLY 53 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2baz n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2baz s TYR 54 N -2.40 2.50 0.11 1.61 1.51 -0.85 -1.04 117.35 118.79 2baz s TYR 54 Ca 0.00 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.46 2baz s TYR 54 Cb 0.00 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2baz s TYR 54 CO 0.00 0.46 0.14 -1.83 -1.11 0.00 0.00 175.55 173.21 2baz s GLU 55 N -3.71 0.89 0.07 -0.62 -1.05 -0.53 -2.82 118.70 110.94 2baz s GLU 55 Ca 0.35 -1.18 0.07 0.00 -0.15 0.00 0.00 54.97 54.05 2baz s GLU 55 Cb 0.04 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 2baz s GLU 55 CO 0.19 -0.27 -0.12 0.00 0.95 0.00 0.00 175.26 176.00 2baz s ALA 56 N -3.94 2.84 -0.12 -0.84 0.00 0.20 -1.29 121.76 118.60 2baz s ALA 56 Ca 0.13 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.91 2baz s ALA 56 Cb 0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 2baz s ALA 56 CO -0.05 0.61 -0.20 -1.01 0.00 0.00 0.00 175.76 175.11 2baz s HIS 57 N -1.09 2.66 -0.14 0.00 3.76 -0.16 -1.76 115.29 118.56 2baz s HIS 57 Ca 0.18 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2baz s HIS 57 Cb -0.11 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.80 2baz s HIS 57 CO 0.10 -0.44 -0.18 0.08 -0.85 0.00 0.00 174.74 173.45 2baz s VAL 58 N 0.53 2.46 0.10 -0.90 1.01 -0.23 -2.46 120.40 120.93 2baz s VAL 58 Ca -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2baz s VAL 58 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2baz s VAL 58 CO 0.04 0.53 -0.03 0.68 0.00 0.00 0.00 175.10 176.32 2baz s VAL 59 N 0.74 0.51 0.71 2.92 -7.23 -0.71 -0.51 120.40 116.84 2baz s VAL 59 Ca -0.07 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 2baz s VAL 59 Cb -0.16 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2baz s VAL 59 CO 0.01 -0.78 1.07 -2.16 -0.31 0.00 0.00 175.10 172.92 2baz s PRO 60 N -3.89 2.83 0.60 4.82 0.04 -1.26 -0.72 135.00 137.41 2baz s PRO 60 Ca 0.14 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 61.78 2baz s PRO 60 Cb 0.06 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2baz s PRO 60 CO -0.04 -1.13 1.06 1.03 0.04 0.00 0.00 177.00 177.97 2baz s ARG 61 N -5.15 3.29 0.61 4.56 0.52 -1.16 -4.68 118.95 116.93 2baz s ARG 61 Ca 0.58 1.21 0.31 0.00 -0.52 0.00 0.00 55.73 57.31 2baz s ARG 61 Cb -0.13 -2.03 1.81 0.00 0.52 0.00 0.00 34.95 35.12 2baz s ARG 61 CO 0.54 -0.84 2.17 0.66 0.02 0.00 0.00 175.30 177.86 2baz h SER 62 N 0.40 0.00 -0.56 0.23 4.64 -1.95 -1.50 113.55 114.82 2baz h SER 62 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2baz h SER 62 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2baz h SER 62 CO 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 2baz n SER 63 N -3.66 3.66 -0.21 4.97 3.41 -1.26 -4.49 113.62 116.03 2baz n SER 63 Ca -0.01 -1.99 -0.08 0.00 -0.26 0.00 0.00 58.87 56.53 2baz n SER 63 Cb 0.22 -0.37 0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2baz n SER 63 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2baz h THR 64 N 4.35 1.23 -0.02 6.66 2.02 -1.57 -0.86 112.91 124.72 2baz h THR 64 Ca 0.00 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2baz h THR 64 Cb 0.98 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2baz h THR 64 CO 0.00 0.29 -0.00 0.22 0.37 0.00 0.00 175.52 176.40 2baz h TYR 65 N 0.83 0.05 -0.82 3.16 5.03 -1.79 0.17 116.97 123.61 2baz h TYR 65 Ca 0.20 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.53 2baz h TYR 65 Cb 0.23 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.45 2baz h TYR 65 CO 0.01 0.37 0.54 -0.22 -1.32 0.00 0.00 178.16 177.54 2baz h LYS 66 N -0.28 0.99 0.24 1.82 3.11 -1.83 0.44 116.57 121.06 2baz h LYS 66 Ca 0.01 -0.06 -0.33 0.00 -2.81 0.00 0.00 60.65 57.45 2baz h LYS 66 Cb 0.35 -0.22 0.03 0.00 -1.00 0.00 0.00 32.23 31.39 2baz h LYS 66 CO 0.00 0.66 -1.49 -0.91 -2.81 0.00 0.00 179.45 174.90 2baz h ASN 67 N 1.02 0.80 0.00 4.20 -0.26 -1.05 -3.41 115.58 116.88 2baz h ASN 67 Ca 0.32 -0.88 0.00 0.00 -0.56 0.00 0.00 56.30 55.18 2baz h ASN 67 Cb 0.02 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 2baz h ASN 67 CO -0.09 1.69 0.00 0.49 -1.06 0.00 0.00 177.43 178.46 2baz n PHE 68 N -3.69 0.00 -1.97 1.19 3.72 0.58 -5.01 117.46 112.27 2baz n PHE 68 Ca -0.17 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 2baz n PHE 68 Cb 1.10 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.61 2baz n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2baz n GLY 69 N 0.36 0.39 3.48 1.37 0.00 0.15 -4.70 105.19 106.25 2baz n GLY 69 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2baz n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2baz s VAL 70 N -2.66 2.58 0.17 1.61 -7.23 -1.26 -0.76 120.40 112.85 2baz s VAL 70 Ca 0.00 -2.26 0.09 0.00 -1.81 0.00 0.00 61.98 57.99 2baz s VAL 70 Cb 0.00 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2baz s VAL 70 CO 0.00 -0.33 -0.18 0.27 -0.31 0.00 0.00 175.10 174.55 2baz s ILE 71 N -2.31 1.83 -0.46 -0.62 -4.36 -0.78 -4.19 121.20 110.31 2baz s ILE 71 Ca 0.28 -1.96 -0.23 0.00 -0.26 0.00 0.00 60.65 58.48 2baz s ILE 71 Cb -0.06 -1.88 0.03 0.00 1.25 0.00 0.00 42.46 41.80 2baz s ILE 71 CO 0.15 -0.35 0.77 -1.58 0.24 0.00 0.00 174.94 174.17 2baz s GLN 72 N -2.91 3.36 0.38 0.37 0.74 -1.26 -1.79 119.66 118.54 2baz s GLN 72 Ca 0.17 -0.22 0.14 0.00 0.05 0.00 0.00 55.36 55.50 2baz s GLN 72 Cb -0.05 -3.97 0.98 0.00 1.10 0.00 0.00 33.01 31.08 2baz s GLN 72 CO 0.07 -1.16 1.82 1.79 -0.55 0.00 0.00 175.29 177.26 2baz h THR 73 N 5.96 0.66 -0.31 -0.34 1.35 -1.63 -0.29 112.91 118.31 2baz h THR 73 Ca -0.25 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2baz h THR 73 Cb 1.09 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2baz h THR 73 CO 0.97 0.09 0.00 -0.46 -0.25 0.00 0.00 175.52 175.87 2baz n ASN 74 N -4.60 2.21 0.00 5.36 6.94 -1.26 -4.95 115.26 118.95 2baz n ASN 74 Ca 0.22 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 2baz n ASN 74 Cb 0.70 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2baz n ASN 74 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2baz n SER 75 N 0.41 0.00 -3.92 0.53 7.64 -0.12 -4.46 113.62 113.69 2baz n SER 75 Ca 0.11 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.75 2baz n SER 75 Cb 0.41 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 2baz n SER 75 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2baz s MET 76 N 0.00 1.38 0.26 1.43 -2.45 -1.26 -4.71 119.30 113.95 2baz s MET 76 Ca 0.00 -0.24 -0.21 0.00 -1.25 0.00 0.00 55.69 54.00 2baz s MET 76 Cb 0.00 -1.38 -0.09 0.00 1.25 0.00 0.00 34.83 34.61 2baz s MET 76 CO 0.00 -0.17 0.78 0.20 1.05 0.00 0.00 175.02 176.87 2baz s GLY 77 N 1.38 2.62 -0.13 2.11 0.00 0.33 -4.87 107.32 108.77 2baz s GLY 77 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.96 2baz s GLY 77 CO -0.04 0.59 -0.20 0.14 0.00 0.00 0.00 173.10 173.60 2baz s VAL 78 N -1.60 1.88 -0.25 1.40 1.01 -1.26 -1.07 120.40 120.52 2baz s VAL 78 Ca 0.46 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2baz s VAL 78 Cb -0.16 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.57 2baz s VAL 78 CO 0.21 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 175.12 2baz s ILE 79 N 0.86 2.68 0.57 2.22 1.09 -0.72 -4.97 121.20 122.93 2baz s ILE 79 Ca -0.07 -1.15 -0.10 0.00 -1.10 0.00 0.00 60.65 58.23 2baz s ILE 79 Cb -0.15 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.81 2baz s ILE 79 CO -0.02 0.17 0.96 -0.62 -0.10 0.00 0.00 174.94 175.33 2baz s ASP 80 N 1.28 6.27 0.56 3.58 2.15 -1.26 -0.63 116.67 128.62 2baz s ASP 80 Ca -0.01 1.29 0.26 0.00 0.43 0.00 0.00 52.55 54.52 2baz s ASP 80 Cb -0.17 -2.41 1.50 0.00 -0.30 0.00 0.00 42.92 41.54 2baz s ASP 80 CO -0.05 -0.76 2.03 1.05 -0.17 0.00 0.00 175.17 177.26 2baz h GLU 81 N -0.06 0.00 0.00 4.34 4.11 -1.86 -0.83 114.58 120.28 2baz h GLU 81 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2baz h GLU 81 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2baz h GLU 81 CO 0.62 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.36 2baz h SER 82 N 0.00 0.00 -0.55 3.06 4.64 -1.92 -3.36 113.55 115.43 2baz h SER 82 Ca 0.17 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.76 2baz h SER 82 Cb 0.78 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.80 2baz h SER 82 CO -0.00 0.00 2.77 0.00 -0.87 0.00 0.00 176.83 178.73 2baz n TYR 83 N -2.36 3.18 -1.10 4.77 9.36 -0.32 -4.44 117.16 126.24 2baz n TYR 83 Ca 0.03 -2.91 0.05 0.00 3.32 0.00 0.00 57.90 58.39 2baz n TYR 83 Cb 0.29 -2.30 0.07 0.00 -0.63 0.00 0.00 39.34 36.78 2baz n TYR 83 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2baz n LYS 84 N 4.87 1.18 -1.05 2.98 2.85 -1.26 -4.59 118.16 123.13 2baz n LYS 84 Ca 0.50 -1.86 -0.31 0.00 -1.05 0.00 0.00 58.31 55.59 2baz n LYS 84 Cb 0.36 -1.10 0.12 0.00 -0.65 0.00 0.00 35.03 33.76 2baz n LYS 84 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2baz s GLY 85 N -1.89 1.69 0.36 2.58 0.00 -1.26 -4.80 107.32 104.01 2baz s GLY 85 Ca 0.17 0.40 0.27 0.00 0.00 0.00 0.00 44.72 45.55 2baz s GLY 85 CO 0.02 0.77 1.80 -1.80 0.00 0.00 0.00 173.10 173.89 2baz h ASP 86 N -1.40 0.00 -0.20 1.64 1.82 -1.99 -2.17 116.42 114.13 2baz h ASP 86 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2baz h ASP 86 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 2baz h ASP 86 CO 0.48 0.00 0.00 -0.46 -1.61 0.00 0.00 179.24 177.65 2baz n ASN 87 N -2.46 2.71 -3.70 2.28 6.94 -1.26 -4.84 115.26 114.93 2baz n ASN 87 Ca 0.00 -2.22 -0.42 0.00 -0.02 0.00 0.00 54.58 51.93 2baz n ASN 87 Cb 0.17 -0.21 -0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2baz n ASN 87 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2baz n ASP 88 N -0.10 5.67 -4.79 0.53 10.43 -0.82 -4.98 116.55 122.50 2baz n ASP 88 Ca 0.09 -2.98 -0.36 0.00 2.57 0.00 0.00 54.79 54.12 2baz n ASP 88 Cb 0.45 -1.52 -0.06 0.00 1.84 0.00 0.00 41.12 41.83 2baz n ASP 88 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2baz s PHE 89 N 1.12 3.56 0.37 1.24 0.40 -1.26 -4.43 117.98 118.98 2baz s PHE 89 Ca 0.48 1.73 -0.20 0.00 -0.60 0.00 0.00 56.93 58.33 2baz s PHE 89 Cb 0.13 -2.93 -0.10 0.00 0.51 0.00 0.00 43.02 40.63 2baz s PHE 89 CO -0.05 0.04 0.88 -1.58 0.70 0.00 0.00 175.22 175.21 2baz s TRP 90 N -1.74 3.41 0.02 0.36 0.52 -0.01 -4.99 118.94 116.51 2baz s TRP 90 Ca 0.54 1.52 0.01 0.00 0.02 0.00 0.00 56.10 58.19 2baz s TRP 90 Cb -0.17 -2.76 -0.02 0.00 -1.15 0.00 0.00 33.47 29.37 2baz s TRP 90 CO 0.22 0.03 -0.04 -0.06 0.02 0.00 0.00 176.95 177.11 2baz s PHE 91 N -1.99 0.39 -0.36 -1.98 0.40 -1.26 -1.86 117.98 111.32 2baz s PHE 91 Ca 0.57 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.38 2baz s PHE 91 Cb -0.11 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.19 2baz s PHE 91 CO 0.16 -0.11 0.19 0.12 0.70 0.00 0.00 175.22 176.28 2baz s PHE 92 N -1.12 3.23 -0.70 0.36 2.19 0.71 -4.88 117.98 117.77 2baz s PHE 92 Ca -0.10 -0.88 -0.26 0.00 0.33 0.00 0.00 56.93 56.02 2baz s PHE 92 Cb -0.08 -2.42 -0.01 0.00 -1.31 0.00 0.00 43.02 39.20 2baz s PHE 92 CO -0.00 -0.60 1.73 -1.25 1.83 0.00 0.00 175.22 176.92 2baz s PRO 93 N 1.57 2.78 -0.14 10.12 0.04 -1.26 -0.90 135.00 147.21 2baz s PRO 93 Ca 0.03 0.22 -0.05 0.00 0.04 0.00 0.00 61.00 61.24 2baz s PRO 93 Cb -0.19 -4.48 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 2baz s PRO 93 CO 0.06 -2.67 0.03 0.00 0.04 0.00 0.00 177.00 174.46 2baz s ALA 94 N 8.30 3.32 -0.20 8.56 0.00 -0.23 -1.50 121.76 140.00 2baz s ALA 94 Ca 0.60 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2baz s ALA 94 Cb -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2baz s ALA 94 CO 0.15 0.37 -0.11 -0.47 0.00 0.00 0.00 175.76 175.70 2baz s TYR 95 N -0.20 2.88 -0.15 0.00 6.14 -0.74 -0.45 117.35 124.83 2baz s TYR 95 Ca 0.06 -1.24 -0.25 0.00 0.64 0.00 0.00 57.07 56.27 2baz s TYR 95 Cb -0.12 -2.02 -0.02 0.00 0.42 0.00 0.00 41.96 40.22 2baz s TYR 95 CO 0.02 -0.66 0.83 0.00 0.64 0.00 0.00 175.55 176.38 2baz s ALA 96 N 1.38 3.48 -2.06 3.97 0.00 -0.34 -1.86 121.76 126.33 2baz s ALA 96 Ca 0.05 0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.36 2baz s ALA 96 Cb -0.14 -3.22 0.75 0.00 0.00 0.00 0.00 23.12 20.52 2baz s ALA 96 CO -0.07 -0.58 1.56 1.28 0.00 0.00 0.00 175.76 177.95 2baz n LEU 97 N 5.03 1.35 -3.49 0.00 4.32 0.06 0.70 117.00 124.96 2baz n LEU 97 Ca 0.04 -0.41 -0.12 0.00 -0.02 0.00 0.00 56.01 55.50 2baz n LEU 97 Cb 0.49 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 2baz n LEU 97 CO 0.48 0.24 0.56 0.00 -1.22 0.00 0.00 177.39 177.46 2baz s ARG 98 N -2.33 0.97 0.19 3.23 1.70 -1.25 -4.70 118.95 116.77 2baz s ARG 98 Ca 0.28 -0.17 -0.32 0.00 -0.47 0.00 0.00 55.73 55.04 2baz s ARG 98 Cb 0.20 0.45 -0.15 0.00 -0.57 0.00 0.00 34.95 34.88 2baz s ARG 98 CO 0.46 -0.39 1.28 -0.25 -1.08 0.00 0.00 175.30 175.32 2baz n ASP 99 N 0.09 1.94 -3.71 -2.89 8.00 -1.26 -4.20 116.55 114.52 2baz n ASP 99 Ca -0.14 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.36 2baz n ASP 99 Cb 0.61 -1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 2baz n ASP 99 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2baz s THR 100 N -0.07 0.02 -0.16 -3.53 -1.32 -0.11 -4.91 115.64 105.57 2baz s THR 100 Ca 0.72 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 61.03 2baz s THR 100 Cb -0.78 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 69.57 2baz s THR 100 CO 0.50 -0.10 -0.20 -1.59 -2.21 0.00 0.00 174.62 171.02 2baz s LYS 101 N -0.58 3.04 -0.22 7.08 0.00 -1.26 -0.52 119.74 127.28 2baz s LYS 101 Ca -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 55.97 55.01 2baz s LYS 101 Cb -0.04 -2.52 -0.03 0.00 0.00 0.00 0.00 37.83 35.25 2baz s LYS 101 CO 0.03 -0.09 0.05 0.42 0.00 0.00 0.00 175.35 175.76 2baz s ILE 102 N 1.01 4.33 0.20 3.79 1.01 0.29 -4.98 121.20 126.86 2baz s ILE 102 Ca -0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 2baz s ILE 102 Cb -0.15 -2.98 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 2baz s ILE 102 CO -0.06 0.40 0.64 -0.54 0.00 0.00 0.00 174.94 175.38 2baz s LYS 103 N 1.08 4.07 0.16 2.79 3.01 -1.26 -0.10 119.74 129.49 2baz s LYS 103 Ca 0.04 0.63 -0.34 0.00 -1.01 0.00 0.00 55.97 55.29 2baz s LYS 103 Cb -0.14 -2.82 -0.14 0.00 -1.01 0.00 0.00 37.83 33.72 2baz s LYS 103 CO 0.03 0.39 1.58 1.17 0.51 0.00 0.00 175.35 179.02 2baz n LYS 104 N 0.54 2.15 0.00 1.68 4.81 -1.23 -0.96 118.16 125.15 2baz n LYS 104 Ca -0.03 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2baz n LYS 104 Cb 0.52 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2baz n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2baz n GLY 105 N 3.40 0.94 3.74 3.14 0.00 -0.43 -4.95 105.19 111.03 2baz n GLY 105 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2baz n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2baz s ASP 106 N -2.23 6.77 -0.18 1.61 1.01 -0.14 -4.70 116.67 118.81 2baz s ASP 106 Ca 0.00 2.54 -0.29 0.00 0.71 0.00 0.00 52.55 55.51 2baz s ASP 106 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2baz s ASP 106 CO 0.00 -0.61 1.04 -0.13 0.21 0.00 0.00 175.17 175.67 2baz s ARG 107 N -0.29 4.32 0.00 8.23 0.52 -1.26 -1.46 118.95 129.01 2baz s ARG 107 Ca 0.58 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.17 2baz s ARG 107 Cb -0.39 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.47 2baz s ARG 107 CO 0.41 -0.51 0.00 0.44 0.02 0.00 0.00 175.30 175.66 2baz n ILE 108 N 5.01 0.00 -4.08 1.52 -5.35 -0.89 -4.91 119.36 110.65 2baz n ILE 108 Ca 0.11 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.45 2baz n ILE 108 Cb 0.47 -0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.24 2baz n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2baz s GLN 110 N -3.15 0.93 0.19 0.00 -2.07 0.10 -0.17 119.66 115.49 2baz s GLN 110 Ca 0.30 -1.07 -0.09 0.00 -1.82 0.00 0.00 55.36 52.68 2baz s GLN 110 Cb -0.00 0.34 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 2baz s GLN 110 CO 0.19 -0.30 0.33 -0.59 -1.32 0.00 0.00 175.29 173.60 2baz s PHE 111 N -3.91 0.47 0.17 9.60 -0.12 -0.31 -1.73 117.98 122.15 2baz s PHE 111 Ca 0.10 -0.81 -0.15 0.00 -0.05 0.00 0.00 56.93 56.02 2baz s PHE 111 Cb 0.05 -0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 2baz s PHE 111 CO -0.07 -0.79 0.43 -0.98 -0.05 0.00 0.00 175.22 173.76 2baz s ARG 112 N -4.00 1.25 0.32 1.99 1.70 -1.03 -0.47 118.95 118.70 2baz s ARG 112 Ca 0.21 -0.92 0.07 0.00 -0.47 0.00 0.00 55.73 54.63 2baz s ARG 112 Cb 0.03 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2baz s ARG 112 CO 0.04 -0.50 0.25 0.96 -1.08 0.00 0.00 175.30 174.97 2baz s ILE 113 N -3.88 3.70 -0.02 4.99 -4.36 -1.26 -0.98 121.20 119.38 2baz s ILE 113 Ca 0.10 -1.41 -0.26 0.00 -0.26 0.00 0.00 60.65 58.81 2baz s ILE 113 Cb 0.01 -3.21 0.06 0.00 1.25 0.00 0.00 42.46 40.57 2baz s ILE 113 CO -0.04 -0.22 0.58 -0.32 0.24 0.00 0.00 174.94 175.18 2baz s MET 114 N -3.94 0.99 0.36 0.37 1.75 -0.41 -4.95 119.30 113.46 2baz s MET 114 Ca 0.39 0.07 -0.28 0.00 -1.25 0.00 0.00 55.69 54.62 2baz s MET 114 Cb -0.06 0.46 -0.10 0.00 2.84 0.00 0.00 34.83 37.97 2baz s MET 114 CO 0.26 -0.31 1.33 -1.59 -0.65 0.00 0.00 175.02 174.05 2baz s LYS 115 N -1.49 4.21 0.79 4.11 0.00 -1.26 -1.45 119.74 124.66 2baz s LYS 115 Ca -0.10 2.24 -0.11 0.00 0.00 0.00 0.00 55.97 58.00 2baz s LYS 115 Cb -0.01 -2.96 0.07 0.00 0.00 0.00 0.00 37.83 34.93 2baz s LYS 115 CO 0.06 -0.32 1.11 0.15 0.00 0.00 0.00 175.35 176.35 2baz s LYS 116 N -1.97 2.02 0.70 1.78 1.02 -0.21 -4.82 119.74 118.26 2baz s LYS 116 Ca 0.52 1.30 -0.16 0.00 0.02 0.00 0.00 55.97 57.66 2baz s LYS 116 Cb -0.40 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 2baz s LYS 116 CO 0.53 -1.84 1.19 0.00 -0.92 0.00 0.00 175.35 174.31 2baz s MET 117 N -4.72 2.37 0.79 1.68 0.23 -1.26 -4.98 119.30 113.41 2baz s MET 117 Ca 0.64 1.71 -0.13 0.00 -1.03 0.00 0.00 55.69 56.87 2baz s MET 117 Cb -0.19 -1.87 0.07 0.00 -1.53 0.00 0.00 34.83 31.31 2baz s MET 117 CO 0.55 -1.65 1.16 -2.14 -2.03 0.00 0.00 175.02 170.91 2baz s PRO 118 N -3.86 1.86 0.20 3.16 0.02 -1.26 -4.92 135.00 130.20 2baz s PRO 118 Ca 0.73 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 63.01 2baz s PRO 118 Cb -0.28 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 2baz s PRO 118 CO 0.43 -2.00 1.46 0.00 -0.33 0.00 0.00 177.00 176.56 2baz s ALA 119 N -2.39 3.66 0.30 -1.55 0.00 -1.26 -5.01 121.76 115.51 2baz s ALA 119 Ca 0.69 1.29 0.08 0.00 0.00 0.00 0.00 51.96 54.02 2baz s ALA 119 Cb -0.24 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 2baz s ALA 119 CO 0.51 -0.72 -0.09 0.14 0.00 0.00 0.00 175.76 175.60 2baz s VAL 120 N 0.52 1.93 -0.17 0.00 -7.23 -1.26 -5.13 120.40 109.05 2baz s VAL 120 Ca 0.63 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2baz s VAL 120 Cb -0.41 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.08 2baz s VAL 120 CO 0.37 -0.29 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.95 2baz s ASP 121 N -3.50 3.00 -0.81 4.85 -0.00 -1.26 -5.08 116.67 113.88 2baz s ASP 121 Ca 0.30 -0.68 -0.18 0.00 -0.00 0.00 0.00 52.55 51.99 2baz s ASP 121 Cb 0.02 -1.17 0.14 0.00 -0.00 0.00 0.00 42.92 41.91 2baz s ASP 121 CO 0.13 -0.11 0.95 -0.76 -0.00 0.00 0.00 175.17 175.38 2baz s LEU 122 N 1.46 5.44 -0.18 1.23 1.02 -1.26 -5.02 118.68 121.38 2baz s LEU 122 Ca 0.02 -1.97 -0.18 0.00 0.02 0.00 0.00 54.13 52.02 2baz s LEU 122 Cb -0.15 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 2baz s LEU 122 CO -0.09 -1.00 0.49 -0.63 0.02 0.00 0.00 176.35 175.14 2baz s ILE 123 N 2.25 5.14 0.16 -0.59 1.01 -1.26 -5.05 121.20 122.86 2baz s ILE 123 Ca 0.24 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 2baz s ILE 123 Cb -0.11 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 2baz s ILE 123 CO -0.04 0.22 1.15 -0.70 0.00 0.00 0.00 174.94 175.57 2baz s GLU 124 N 1.35 4.53 0.10 2.79 2.12 -1.26 -5.05 118.70 123.28 2baz s GLU 124 Ca 0.24 1.78 0.05 0.00 0.36 0.00 0.00 54.97 57.40 2baz s GLU 124 Cb -0.15 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2baz s GLU 124 CO 0.09 -0.04 -0.13 0.14 -0.54 0.00 0.00 175.26 174.78 2baz s VAL 125 N 0.06 1.17 0.03 3.70 -7.23 -1.26 -5.06 120.40 111.81 2baz s VAL 125 Ca 0.52 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2baz s VAL 125 Cb -0.31 -1.35 -0.25 0.00 0.56 0.00 0.00 36.38 35.04 2baz s VAL 125 CO 0.35 -0.40 0.93 0.44 -0.31 0.00 0.00 175.10 176.11 2baz h ASP 126 N 3.75 0.20 -4.37 4.85 3.32 -2.08 -3.45 116.42 118.63 2baz h ASP 126 Ca -0.39 -0.27 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 2baz h ASP 126 Cb 1.19 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.39 2baz h ASP 126 CO 0.48 1.23 -0.85 -0.13 -1.72 0.00 0.00 179.24 178.25 2baz s ARG 127 N -2.64 1.54 0.00 3.56 1.81 -1.26 -5.37 118.95 116.60 2baz s ARG 127 Ca -0.05 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 2baz s ARG 127 Cb 0.08 -1.52 0.00 0.00 -0.45 0.00 0.00 34.95 33.07 2baz s ARG 127 CO 0.84 0.41 0.51 -0.11 -0.68 0.00 0.00 175.30 176.27