#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z12 s GLU 2 N 0.00 0.62 0.00 0.00 2.56 -1.26 -5.17 118.70 115.45 1z12 s GLU 2 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 54.97 56.23 1z12 s GLU 2 Cb 0.00 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.51 1z12 s GLU 2 CO 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 175.26 174.53 1z12 n GLN 3 N 4.74 0.00 -3.11 4.30 10.64 -1.26 -5.17 117.38 127.52 1z12 n GLN 3 Ca -0.17 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.77 1z12 n GLN 3 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 1z12 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1z12 s VAL 4 N -1.66 4.36 -0.24 -0.39 0.11 -1.26 -5.07 120.40 116.26 1z12 s VAL 4 Ca 0.00 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 1z12 s VAL 4 Cb 0.00 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1z12 s VAL 4 CO 0.00 -0.41 0.33 0.28 -3.33 0.00 0.00 175.10 171.97 1z12 s THR 5 N -2.48 5.23 0.05 5.04 -1.32 -1.26 -4.80 115.64 116.11 1z12 s THR 5 Ca 0.46 0.53 0.04 0.00 -1.21 0.00 0.00 61.69 61.51 1z12 s THR 5 Cb -0.10 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1z12 s THR 5 CO 0.37 0.24 -0.04 -0.54 -2.21 0.00 0.00 174.62 172.44 1z12 s LYS 6 N 1.53 2.50 -0.04 7.08 1.02 0.75 -4.98 119.74 127.59 1z12 s LYS 6 Ca 0.15 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.35 1z12 s LYS 6 Cb -0.15 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1z12 s LYS 6 CO 0.08 0.57 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.44 1z12 s SER 7 N -1.90 1.33 -0.02 2.83 1.04 -1.26 -0.37 113.70 115.36 1z12 s SER 7 Ca 0.21 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1z12 s SER 7 Cb -0.11 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1z12 s SER 7 CO 0.13 0.03 -0.07 0.54 0.98 0.00 0.00 173.24 174.85 1z12 s VAL 8 N 0.46 0.63 -0.18 5.02 0.11 -0.12 -1.96 120.40 124.36 1z12 s VAL 8 Ca -0.08 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1z12 s VAL 8 Cb -0.12 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1z12 s VAL 8 CO 0.01 0.20 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.62 1z12 s LEU 9 N 0.13 2.44 -0.18 2.54 2.96 0.22 -1.47 118.68 125.32 1z12 s LEU 9 Ca -0.02 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.22 1z12 s LEU 9 Cb -0.07 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1z12 s LEU 9 CO 0.00 0.02 0.37 -0.36 -1.32 0.00 0.00 176.35 175.06 1z12 s PHE 10 N 1.18 3.41 -0.07 5.38 0.40 0.37 -1.09 117.98 127.56 1z12 s PHE 10 Ca 0.02 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.02 1z12 s PHE 10 Cb -0.14 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.91 1z12 s PHE 10 CO -0.06 0.09 -0.23 0.08 0.70 0.00 0.00 175.22 175.80 1z12 s VAL 11 N 0.97 2.27 0.34 -0.44 1.01 0.38 -1.68 120.40 123.25 1z12 s VAL 11 Ca 0.19 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1z12 s VAL 11 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1z12 s VAL 11 CO 0.07 0.57 0.18 0.00 0.00 0.00 0.00 175.10 175.92 1z12 h LEU 13 N 2.08 -0.13 0.00 0.00 5.85 -1.95 -1.27 115.31 119.88 1z12 h LEU 13 Ca -0.32 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1z12 h LEU 13 Cb 1.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1z12 h LEU 13 CO 0.49 0.14 -1.44 0.61 -0.34 0.00 0.00 178.44 177.90 1z12 n GLY 14 N -0.47 -0.86 3.29 3.75 0.00 -1.26 -1.12 105.19 108.52 1z12 n GLY 14 Ca -0.09 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1z12 n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1z12 n ASN 15 N -1.84 -5.52 0.00 1.61 4.05 -1.26 -4.71 115.26 107.59 1z12 n ASN 15 Ca -0.00 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.62 1z12 n ASN 15 Cb 0.41 -4.45 0.00 0.00 1.23 0.00 0.00 39.78 36.97 1z12 n ASN 15 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1z12 n ILE 16 N -4.49 0.00 -0.08 -1.44 -5.35 -1.26 -4.58 119.36 102.15 1z12 n ILE 16 Ca -0.06 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.34 1z12 n ILE 16 Cb 0.58 -0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 37.99 1z12 n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1z12 h ARG 18 N -0.90 0.00 -0.35 0.00 3.08 -1.95 -3.31 114.38 110.95 1z12 h ARG 18 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1z12 h ARG 18 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1z12 h ARG 18 CO 0.00 0.85 0.12 0.66 -1.07 0.00 0.00 179.97 180.53 1z12 h SER 19 N -1.00 0.45 0.36 7.04 4.64 -1.88 0.22 113.55 123.38 1z12 h SER 19 Ca -0.12 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1z12 h SER 19 Cb 0.98 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1z12 h SER 19 CO -0.07 0.43 -0.48 -0.65 -0.87 0.00 0.00 176.83 175.19 1z12 h PRO 20 N 0.50 0.14 -0.00 4.77 0.10 -1.86 0.33 132.00 135.98 1z12 h PRO 20 Ca 0.12 -0.07 -0.00 0.00 0.10 0.00 0.00 66.00 66.15 1z12 h PRO 20 Cb 0.13 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.24 1z12 h PRO 20 CO -0.01 0.59 -0.00 0.82 0.10 0.00 0.00 178.00 179.50 1z12 h ILE 21 N 0.11 1.46 -0.41 4.15 2.04 -1.33 -1.62 117.51 121.91 1z12 h ILE 21 Ca 0.00 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1z12 h ILE 21 Cb 0.89 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1z12 h ILE 21 CO 0.07 0.35 0.12 0.00 0.00 0.00 0.00 178.15 178.69 1z12 h ALA 22 N 0.43 1.45 -0.29 1.87 0.00 -0.53 -2.00 119.26 120.19 1z12 h ALA 22 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1z12 h ALA 22 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1z12 h ALA 22 CO 0.00 0.41 -0.10 1.49 0.00 0.00 0.00 179.25 181.05 1z12 h GLU 23 N 0.59 0.59 -0.17 0.00 4.81 -0.25 -2.14 114.58 118.01 1z12 h GLU 23 Ca 0.14 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1z12 h GLU 23 Cb 0.18 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1z12 h GLU 23 CO -0.01 0.80 -0.34 0.00 -0.73 0.00 0.00 179.01 178.73 1z12 h ALA 24 N 0.77 1.11 -0.07 2.92 0.00 -1.07 -1.36 119.26 121.56 1z12 h ALA 24 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1z12 h ALA 24 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1z12 h ALA 24 CO 0.04 0.57 -0.03 0.28 0.00 0.00 0.00 179.25 180.11 1z12 h VAL 25 N 0.29 1.31 -0.45 0.00 2.07 -1.38 -1.85 116.25 116.24 1z12 h VAL 25 Ca 0.04 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1z12 h VAL 25 Cb 0.75 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1z12 h VAL 25 CO 0.06 0.28 0.30 0.15 0.02 0.00 0.00 177.57 178.37 1z12 h PHE 26 N -0.22 0.57 -0.45 1.57 3.57 -1.17 -1.28 116.94 119.54 1z12 h PHE 26 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1z12 h PHE 26 Cb 0.45 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1z12 h PHE 26 CO 0.06 0.36 0.03 0.00 -2.23 0.00 0.00 178.31 176.54 1z12 h ARG 27 N 0.61 0.77 -0.28 1.11 3.08 -0.99 -1.85 114.38 116.83 1z12 h ARG 27 Ca 0.17 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1z12 h ARG 27 Cb -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1z12 h ARG 27 CO -0.04 0.81 0.08 -0.22 -1.07 0.00 0.00 179.97 179.54 1z12 h LYS 28 N 0.62 0.40 -0.02 0.04 1.63 -0.48 0.12 116.57 118.87 1z12 h LYS 28 Ca 0.13 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1z12 h LYS 28 Cb 0.44 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1z12 h LYS 28 CO 0.02 0.36 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.28 1z12 h LEU 29 N 0.39 0.06 -0.46 5.20 3.38 -0.91 -0.28 115.31 122.70 1z12 h LEU 29 Ca 0.10 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1z12 h LEU 29 Cb 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1z12 h LEU 29 CO -0.01 0.54 0.24 0.58 0.09 0.00 0.00 178.44 179.88 1z12 h VAL 30 N -0.42 1.17 -0.51 1.22 2.07 -1.22 0.19 116.25 118.76 1z12 h VAL 30 Ca 0.00 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1z12 h VAL 30 Cb 0.52 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1z12 h VAL 30 CO 0.01 0.18 0.30 0.74 0.02 0.00 0.00 177.57 178.82 1z12 h THR 31 N 0.61 1.04 0.00 2.57 2.02 -0.75 -1.15 112.91 117.25 1z12 h THR 31 Ca 0.16 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1z12 h THR 31 Cb 0.08 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1z12 h THR 31 CO -0.02 0.11 -0.09 0.44 0.37 0.00 0.00 175.52 176.33 1z12 h ASP 32 N 0.59 0.00 -0.38 4.18 3.45 -0.45 -0.58 116.42 123.23 1z12 h ASP 32 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1z12 h ASP 32 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1z12 h ASP 32 CO -0.10 0.09 0.00 0.00 -1.57 0.00 0.00 179.24 177.66 1z12 n GLN 33 N -3.93 1.89 -2.13 3.56 6.02 0.61 -4.88 117.38 118.52 1z12 n GLN 33 Ca -0.02 -1.39 -0.21 0.00 -0.01 0.00 0.00 57.00 55.37 1z12 n GLN 33 Cb 0.18 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.10 1z12 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1z12 n ASN 34 N 0.63 -5.79 -0.25 1.08 3.02 -0.23 -4.84 115.26 108.89 1z12 n ASN 34 Ca 0.13 0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.90 1z12 n ASN 34 Cb 0.33 -4.90 0.12 0.00 -0.61 0.00 0.00 39.78 34.71 1z12 n ASN 34 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1z12 n ILE 35 N -3.47 1.60 -0.32 2.41 -5.35 -0.82 -4.81 119.36 108.61 1z12 n ILE 35 Ca -0.23 -1.70 0.06 0.00 -0.27 0.00 0.00 62.75 60.61 1z12 n ILE 35 Cb 0.69 0.05 0.22 0.00 -1.74 0.00 0.00 39.64 38.86 1z12 n ILE 35 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1z12 h SER 36 N 0.51 0.71 0.15 7.28 0.02 -1.85 -2.17 113.55 118.20 1z12 h SER 36 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1z12 h SER 36 Cb 0.90 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1z12 h SER 36 CO 0.04 0.36 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 1z12 n ASP 37 N -4.75 0.00 -0.57 3.07 8.00 -1.26 -1.44 116.55 119.61 1z12 n ASP 37 Ca 0.17 0.17 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1z12 n ASP 37 Cb 0.37 -0.28 0.07 0.00 -0.02 0.00 0.00 41.12 41.26 1z12 n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1z12 n ASN 38 N -1.28 2.25 -4.23 -2.24 3.02 -0.81 -4.97 115.26 106.99 1z12 n ASN 38 Ca 0.04 -1.62 -0.26 0.00 -0.03 0.00 0.00 54.58 52.72 1z12 n ASN 38 Cb 0.06 -0.04 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 1z12 n ASN 38 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1z12 s TRP 39 N -1.10 1.78 -0.17 3.10 0.52 -0.52 -0.18 118.94 122.37 1z12 s TRP 39 Ca 0.17 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.93 1z12 s TRP 39 Cb 0.12 -1.09 0.01 0.00 -1.15 0.00 0.00 33.47 31.35 1z12 s TRP 39 CO 0.17 0.05 -0.16 0.08 0.02 0.00 0.00 176.95 177.10 1z12 s VAL 40 N -0.68 2.47 0.02 4.03 1.01 0.50 -4.94 120.40 122.81 1z12 s VAL 40 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1z12 s VAL 40 Cb -0.08 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1z12 s VAL 40 CO 0.01 0.51 -0.13 -0.63 0.00 0.00 0.00 175.10 174.86 1z12 s ILE 41 N 1.11 1.06 0.24 2.22 1.01 -1.26 -0.94 121.20 124.64 1z12 s ILE 41 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 1z12 s ILE 41 Cb -0.14 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1z12 s ILE 41 CO -0.06 0.08 0.71 -0.62 0.00 0.00 0.00 174.94 175.06 1z12 s ASP 42 N -0.88 -0.33 0.08 3.58 2.15 -0.54 -4.99 116.67 115.75 1z12 s ASP 42 Ca 0.02 -0.45 0.04 0.00 0.43 0.00 0.00 52.55 52.59 1z12 s ASP 42 Cb -0.07 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.20 1z12 s ASP 42 CO 0.01 -1.23 -0.12 -0.94 -0.17 0.00 0.00 175.17 172.72 1z12 s SER 43 N -2.88 1.54 0.24 -0.34 1.04 -1.26 -0.48 113.70 111.57 1z12 s SER 43 Ca 0.09 -0.70 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1z12 s SER 43 Cb -0.05 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1z12 s SER 43 CO 0.02 -0.17 0.51 -0.83 0.98 0.00 0.00 173.24 173.75 1z12 s GLY 44 N -2.06 0.37 0.10 7.32 0.00 -0.67 -4.61 107.32 107.77 1z12 s GLY 44 Ca 0.01 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 44.07 1z12 s GLY 44 CO 0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 173.10 172.49 1z12 s ALA 45 N -3.99 2.94 0.12 3.20 0.00 0.95 -2.70 121.76 122.28 1z12 s ALA 45 Ca 0.19 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1z12 s ALA 45 Cb -0.01 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 1z12 s ALA 45 CO 0.07 0.64 1.45 0.28 0.00 0.00 0.00 175.76 178.20 1z12 h VAL 46 N 3.31 1.28 -3.11 0.00 2.07 -0.94 0.39 116.25 119.26 1z12 h VAL 46 Ca -0.49 -1.50 -0.57 0.00 0.82 0.00 0.00 66.70 64.96 1z12 h VAL 46 Cb 1.17 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1z12 h VAL 46 CO 0.52 0.49 -0.30 -0.55 0.02 0.00 0.00 177.57 177.75 1z12 s SER 47 N -6.69 6.47 0.00 0.57 0.15 -0.27 -4.68 113.70 109.24 1z12 s SER 47 Ca -0.12 0.56 0.24 0.00 0.70 0.00 0.00 55.95 57.34 1z12 s SER 47 Cb 0.10 -2.08 0.32 0.00 -1.71 0.00 0.00 66.02 62.65 1z12 s SER 47 CO 0.86 0.01 1.28 -0.90 1.20 0.00 0.00 173.24 175.69 1z12 n ASP 48 N -0.15 1.09 -0.23 5.45 5.75 -1.26 -4.49 116.55 122.71 1z12 n ASP 48 Ca -0.03 -0.87 0.21 0.00 -0.01 0.00 0.00 54.79 54.09 1z12 n ASP 48 Cb 0.52 0.42 0.55 0.00 -1.03 0.00 0.00 41.12 41.59 1z12 n ASP 48 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1z12 h TRP 49 N 0.88 0.43 -0.12 2.11 2.91 -1.95 -2.74 115.95 117.48 1z12 h TRP 49 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1z12 h TRP 49 Cb 0.56 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1z12 h TRP 49 CO 0.00 0.11 0.00 0.09 -1.03 0.00 0.00 178.44 177.61 1z12 n ASN 50 N -4.47 2.76 -4.64 2.65 4.13 -1.26 -5.04 115.26 109.39 1z12 n ASN 50 Ca 0.19 -2.69 -0.47 0.00 1.68 0.00 0.00 54.58 53.30 1z12 n ASN 50 Cb 0.75 -0.34 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 1z12 n ASN 50 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1z12 n VAL 51 N -0.72 0.65 0.00 2.41 0.24 -1.04 -1.37 118.33 118.50 1z12 n VAL 51 Ca 0.13 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1z12 n VAL 51 Cb 0.59 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 1z12 n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1z12 n GLY 52 N 2.42 3.13 3.77 7.63 0.00 0.25 -4.86 105.19 117.54 1z12 n GLY 52 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1z12 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z12 s ARG 53 N -0.39 2.60 0.52 1.61 0.52 -0.47 -4.32 118.95 119.02 1z12 s ARG 53 Ca 0.00 1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 56.49 1z12 s ARG 53 Cb 0.00 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1z12 s ARG 53 CO 0.00 -1.40 0.84 -1.12 0.02 0.00 0.00 175.30 173.64 1z12 s SER 54 N -2.79 6.23 0.76 0.23 0.01 -1.26 -0.65 113.70 116.23 1z12 s SER 54 Ca 0.66 1.03 -0.15 0.00 1.31 0.00 0.00 55.95 58.79 1z12 s SER 54 Cb -0.20 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1z12 s SER 54 CO 0.46 -0.66 0.90 -2.65 0.41 0.00 0.00 173.24 171.70 1z12 n PRO 55 N -2.38 0.34 -1.62 12.44 -0.02 -1.26 -4.87 135.00 137.63 1z12 n PRO 55 Ca 0.02 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.30 1z12 n PRO 55 Cb 0.55 -2.18 0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1z12 n PRO 55 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1z12 n ASP 56 N -1.78 0.77 0.26 2.55 -0.08 -0.49 -4.75 116.55 113.03 1z12 n ASP 56 Ca 0.12 0.79 0.09 0.00 -1.51 0.00 0.00 54.79 54.28 1z12 n ASP 56 Cb 0.50 -1.40 0.67 0.00 2.34 0.00 0.00 41.12 43.23 1z12 n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1z12 h PRO 57 N 0.40 0.00 -0.01 -0.67 0.10 -1.92 -0.38 132.00 129.53 1z12 h PRO 57 Ca -0.49 0.00 -0.22 0.00 0.10 0.00 0.00 66.00 65.40 1z12 h PRO 57 Cb 1.37 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.46 1z12 h PRO 57 CO 0.50 0.06 -0.91 0.00 0.10 0.00 0.00 178.00 177.75 1z12 h ARG 58 N 0.00 0.38 -0.13 1.05 3.08 -1.97 -0.84 114.38 115.95 1z12 h ARG 58 Ca -0.00 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1z12 h ARG 58 Cb 0.11 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1z12 h ARG 58 CO 0.01 1.07 -0.08 0.00 -1.07 0.00 0.00 179.97 179.89 1z12 h ALA 59 N 0.79 0.19 0.06 0.04 0.00 -1.58 -1.47 119.26 117.29 1z12 h ALA 59 Ca -0.07 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1z12 h ALA 59 Cb 1.54 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1z12 h ALA 59 CO 0.15 0.01 -0.50 0.28 0.00 0.00 0.00 179.25 179.19 1z12 h VAL 60 N -0.06 0.04 -0.65 0.00 2.07 -1.01 0.76 116.25 117.40 1z12 h VAL 60 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1z12 h VAL 60 Cb 0.57 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1z12 h VAL 60 CO 0.02 0.00 0.40 0.77 0.02 0.00 0.00 177.57 178.79 1z12 h SER 61 N -0.69 0.76 -0.58 0.57 4.64 -1.23 -1.86 113.55 115.17 1z12 h SER 61 Ca 0.01 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1z12 h SER 61 Cb 0.73 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1z12 h SER 61 CO -0.31 0.58 0.28 0.00 -0.87 0.00 0.00 176.83 176.50 1z12 h LEU 63 N 0.78 0.51 -0.93 0.00 3.38 -0.16 -2.75 115.31 116.14 1z12 h LEU 63 Ca 0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1z12 h LEU 63 Cb 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1z12 h LEU 63 CO -0.02 0.57 0.19 0.03 0.09 0.00 0.00 178.44 179.30 1z12 h ARG 64 N 0.52 0.97 -0.43 1.13 -0.00 -0.65 0.27 114.38 116.19 1z12 h ARG 64 Ca 0.11 -0.19 0.13 0.00 -0.50 0.00 0.00 59.98 59.52 1z12 h ARG 64 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 1z12 h ARG 64 CO 0.01 0.84 0.33 -0.91 0.00 0.00 0.00 179.97 180.24 1z12 h ASN 65 N 0.93 0.00 -0.71 7.04 2.35 -1.06 0.83 115.58 124.97 1z12 h ASN 65 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1z12 h ASN 65 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1z12 h ASN 65 CO -0.01 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.18 1z12 n HIS 66 N -4.27 0.95 -1.53 1.19 8.25 -0.64 -4.95 115.22 114.21 1z12 n HIS 66 Ca 0.07 -0.47 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 1z12 n HIS 66 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1z12 n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1z12 n GLY 67 N 1.64 0.78 3.58 -1.41 0.00 0.29 -5.01 105.19 105.05 1z12 n GLY 67 Ca 0.24 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1z12 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1z12 s ILE 68 N -2.38 3.52 0.13 -0.61 1.01 -0.01 -4.98 121.20 117.89 1z12 s ILE 68 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1z12 s ILE 68 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1z12 s ILE 68 CO 0.00 0.31 -0.12 0.20 0.00 0.00 0.00 174.94 175.33 1z12 s ASN 69 N -1.64 1.83 0.04 3.58 0.01 -1.26 -2.99 114.94 114.51 1z12 s ASN 69 Ca 0.18 -0.89 -0.00 0.00 -0.71 0.00 0.00 52.86 51.44 1z12 s ASN 69 Cb -0.11 -0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 1z12 s ASN 69 CO 0.09 -0.23 -0.03 0.28 -1.51 0.00 0.00 177.10 175.70 1z12 s THR 70 N -2.64 0.19 -0.06 1.60 -1.32 -1.26 -4.99 115.64 107.16 1z12 s THR 70 Ca 0.11 -1.38 0.08 0.00 -1.21 0.00 0.00 61.69 59.30 1z12 s THR 70 Cb -0.02 -0.92 0.13 0.00 -1.51 0.00 0.00 72.50 70.18 1z12 s THR 70 CO 0.02 -0.75 1.02 0.00 -2.21 0.00 0.00 174.62 172.70 1z12 n ALA 71 N 0.83 2.02 -1.72 11.08 0.00 -1.26 -5.08 120.51 126.39 1z12 n ALA 71 Ca -0.19 -1.67 -0.43 0.00 0.00 0.00 0.00 53.44 51.16 1z12 n ALA 71 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1z12 n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1z12 n HIS 72 N -0.81 2.55 -4.63 0.00 -0.00 -1.26 -5.04 115.22 106.02 1z12 n HIS 72 Ca 0.07 0.42 -0.33 0.00 -0.00 0.00 0.00 57.72 57.88 1z12 n HIS 72 Cb 0.49 -2.50 -0.11 0.00 -0.00 0.00 0.00 29.99 27.86 1z12 n HIS 72 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1z12 s LYS 73 N -1.15 2.58 0.27 1.57 1.02 -1.26 -4.18 119.74 118.58 1z12 s LYS 73 Ca 0.61 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 1z12 s LYS 73 Cb -0.55 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 1z12 s LYS 73 CO 0.55 0.62 1.24 0.00 -0.92 0.00 0.00 175.35 176.85 1z12 s ALA 74 N -0.87 3.48 0.10 5.17 0.00 0.18 -4.71 121.76 125.11 1z12 s ALA 74 Ca 0.14 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1z12 s ALA 74 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1z12 s ALA 74 CO 0.04 -0.46 -0.09 -0.98 0.00 0.00 0.00 175.76 174.26 1z12 s ARG 75 N -1.07 0.86 0.18 0.00 1.70 -1.26 0.88 118.95 120.25 1z12 s ARG 75 Ca 0.50 -1.23 -0.11 0.00 -0.47 0.00 0.00 55.73 54.43 1z12 s ARG 75 Cb -0.36 -0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 33.49 1z12 s ARG 75 CO 0.44 0.06 0.52 -1.14 -1.08 0.00 0.00 175.30 174.10 1z12 s GLN 76 N -3.13 3.85 0.34 3.89 0.74 -1.26 -0.04 119.66 124.05 1z12 s GLN 76 Ca 0.08 0.32 -0.28 0.00 0.05 0.00 0.00 55.36 55.53 1z12 s GLN 76 Cb -0.00 -2.79 -0.10 0.00 1.10 0.00 0.00 33.01 31.22 1z12 s GLN 76 CO -0.01 0.40 1.24 0.08 -0.55 0.00 0.00 175.29 176.45 1z12 s VAL 77 N -1.65 2.94 0.40 1.34 1.01 0.14 -4.73 120.40 119.85 1z12 s VAL 77 Ca 0.42 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1z12 s VAL 77 Cb -0.13 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1z12 s VAL 77 CO 0.20 0.18 0.04 0.42 0.00 0.00 0.00 175.10 175.95 1z12 s THR 78 N -1.21 1.40 0.27 3.92 -4.23 -1.26 -4.97 115.64 109.55 1z12 s THR 78 Ca 0.50 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1z12 s THR 78 Cb -0.36 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 70.87 1z12 s THR 78 CO 0.47 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 176.41 1z12 h LYS 79 N 1.83 0.71 0.00 3.99 1.57 -1.96 -2.78 116.57 119.93 1z12 h LYS 79 Ca -0.42 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1z12 h LYS 79 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1z12 h LYS 79 CO 0.73 0.77 0.00 0.93 -0.57 0.00 0.00 179.45 181.31 1z12 h GLU 80 N 0.65 0.00 -0.04 3.15 3.07 -2.00 -1.90 114.58 117.52 1z12 h GLU 80 Ca 0.12 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1z12 h GLU 80 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1z12 h GLU 80 CO 0.03 0.00 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.07 1z12 h ASP 81 N 0.00 0.05 1.40 1.42 3.32 -1.91 0.66 116.42 121.37 1z12 h ASP 81 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1z12 h ASP 81 Cb 0.34 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1z12 h ASP 81 CO 0.00 0.19 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.40 1z12 h PHE 82 N 0.06 0.00 0.00 4.55 -1.00 -1.49 -1.45 116.94 117.61 1z12 h PHE 82 Ca 0.01 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1z12 h PHE 82 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1z12 h PHE 82 CO 0.00 0.04 -1.86 1.33 -1.61 0.00 0.00 178.31 176.22 1z12 n VAL 83 N -3.13 0.52 -0.06 -0.55 0.24 -0.53 -1.82 118.33 112.99 1z12 n VAL 83 Ca 0.02 -0.60 -0.06 0.00 -2.04 0.00 0.00 64.34 61.66 1z12 n VAL 83 Cb 0.42 -0.24 -0.15 0.00 -1.47 0.00 0.00 33.84 32.41 1z12 n VAL 83 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1z12 n THR 84 N -2.50 1.22 -3.51 3.34 -2.24 0.11 -4.69 114.28 106.02 1z12 n THR 84 Ca -0.10 -0.78 -0.36 0.00 -2.27 0.00 0.00 64.05 60.54 1z12 n THR 84 Cb 0.72 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1z12 n THR 84 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1z12 s PHE 85 N -2.70 3.66 0.17 4.78 0.40 -0.56 -4.93 117.98 118.81 1z12 s PHE 85 Ca -0.08 0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1z12 s PHE 85 Cb 0.08 -2.25 0.06 0.00 0.51 0.00 0.00 43.02 41.42 1z12 s PHE 85 CO 0.84 0.57 1.46 -0.44 0.70 0.00 0.00 175.22 178.34 1z12 h ASP 86 N 4.17 0.62 -3.76 1.36 3.32 -1.77 -3.31 116.42 117.04 1z12 h ASP 86 Ca -0.50 -0.36 -0.24 0.00 0.02 0.00 0.00 57.03 55.94 1z12 h ASP 86 Cb 1.21 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.30 1z12 h ASP 86 CO 0.64 1.10 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.22 1z12 s TYR 87 N -3.85 0.08 -0.19 4.55 1.51 -0.83 -1.98 117.35 116.64 1z12 s TYR 87 Ca -0.07 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1z12 s TYR 87 Cb 0.11 -0.05 0.02 0.00 -0.11 0.00 0.00 41.96 41.92 1z12 s TYR 87 CO 0.85 -0.00 -0.16 0.42 -1.11 0.00 0.00 175.55 175.54 1z12 s ILE 88 N -0.03 2.33 -0.12 2.71 1.01 -0.16 -0.61 121.20 126.33 1z12 s ILE 88 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1z12 s ILE 88 Cb -0.00 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1z12 s ILE 88 CO -0.00 0.49 -0.22 -0.76 0.00 0.00 0.00 174.94 174.45 1z12 s LEU 89 N 1.32 2.07 0.43 2.97 1.43 -0.25 -0.88 118.68 125.77 1z12 s LEU 89 Ca 0.05 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1z12 s LEU 89 Cb -0.14 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1z12 s LEU 89 CO -0.11 0.10 0.20 0.00 0.23 0.00 0.00 176.35 176.77 1z12 h MET 91 N 1.34 0.15 -4.90 0.00 0.00 -1.79 -1.32 114.93 108.42 1z12 h MET 91 Ca -0.42 -0.25 -0.34 0.00 0.00 0.00 0.00 59.70 58.68 1z12 h MET 91 Cb 1.26 0.09 -0.14 0.00 0.00 0.00 0.00 31.60 32.81 1z12 h MET 91 CO 0.69 1.12 -0.62 0.16 0.00 0.00 0.00 176.91 178.25 1z12 s ASP 92 N -6.87 1.28 0.51 1.22 1.47 -1.26 -3.09 116.67 109.92 1z12 s ASP 92 Ca -0.22 -1.34 0.17 0.00 1.18 0.00 0.00 52.55 52.34 1z12 s ASP 92 Cb 0.04 0.14 1.25 0.00 -0.34 0.00 0.00 42.92 44.00 1z12 s ASP 92 CO 0.71 -0.69 2.11 1.05 0.68 0.00 0.00 175.17 179.03 1z12 h GLU 93 N 2.43 0.06 -0.32 2.11 4.11 -1.95 0.30 114.58 121.32 1z12 h GLU 93 Ca -0.38 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.01 1z12 h GLU 93 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1z12 h GLU 93 CO 0.62 0.04 0.07 0.77 0.07 0.00 0.00 179.01 180.58 1z12 h SER 94 N 0.06 0.50 -0.71 3.06 0.02 -1.99 0.42 113.55 114.91 1z12 h SER 94 Ca 0.06 -0.24 0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1z12 h SER 94 Cb 0.18 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1z12 h SER 94 CO -0.01 0.61 0.47 0.78 -1.14 0.00 0.00 176.83 177.55 1z12 h ASN 95 N 0.36 0.61 -0.30 3.07 -0.26 -0.94 -1.99 115.58 116.15 1z12 h ASN 95 Ca 0.10 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.73 1z12 h ASN 95 Cb 0.32 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1z12 h ASN 95 CO 0.00 0.39 -0.25 0.25 -1.06 0.00 0.00 177.43 176.76 1z12 h LEU 96 N 0.69 0.74 0.04 1.61 5.85 0.52 -2.10 115.31 122.67 1z12 h LEU 96 Ca 0.32 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1z12 h LEU 96 Cb 0.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1z12 h LEU 96 CO -0.11 1.04 -0.05 0.03 -0.34 0.00 0.00 178.44 179.02 1z12 h ARG 97 N 0.45 -0.10 -0.81 1.25 3.08 0.43 -2.69 114.38 115.99 1z12 h ARG 97 Ca 0.05 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.21 1z12 h ARG 97 Cb 0.82 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.81 1z12 h ARG 97 CO 0.07 -0.07 0.44 -0.44 -1.07 0.00 0.00 179.97 178.90 1z12 h ASP 98 N -0.10 0.61 -0.40 7.04 3.32 -1.31 -2.58 116.42 123.00 1z12 h ASP 98 Ca 0.01 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1z12 h ASP 98 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1z12 h ASP 98 CO -0.02 0.33 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.58 1z12 h LEU 99 N 0.72 0.84 -1.22 1.55 3.38 -1.26 -2.13 115.31 117.19 1z12 h LEU 99 Ca 0.40 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1z12 h LEU 99 Cb 0.42 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1z12 h LEU 99 CO -0.27 1.06 0.54 0.78 0.09 0.00 0.00 178.44 180.63 1z12 h ASN 100 N 0.63 0.86 0.36 -0.43 2.35 -1.14 0.28 115.58 118.49 1z12 h ASN 100 Ca 0.09 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1z12 h ASN 100 Cb 0.73 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1z12 h ASN 100 CO 0.06 0.59 -0.17 -0.09 -1.65 0.00 0.00 177.43 176.16 1z12 h ARG 101 N 1.00 -0.47 -0.37 0.81 2.43 -1.36 -2.09 114.38 114.34 1z12 h ARG 101 Ca 0.33 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1z12 h ARG 101 Cb 0.07 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1z12 h ARG 101 CO -0.10 -0.24 0.02 0.87 -1.51 0.00 0.00 179.97 179.01 1z12 h LYS 102 N -0.60 0.56 -0.32 0.20 1.57 -0.69 -2.11 116.57 115.18 1z12 h LYS 102 Ca -0.05 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1z12 h LYS 102 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1z12 h LYS 102 CO 0.08 0.57 0.05 0.66 -0.57 0.00 0.00 179.45 180.25 1z12 h SER 103 N 0.54 0.43 -0.73 0.86 4.64 -0.16 0.61 113.55 119.74 1z12 h SER 103 Ca 0.12 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1z12 h SER 103 Cb 0.31 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 1z12 h SER 103 CO 0.01 0.46 0.48 0.78 -0.87 0.00 0.00 176.83 177.69 1z12 h ASN 104 N 0.46 0.60 0.00 4.97 -0.26 -0.68 0.32 115.58 120.99 1z12 h ASN 104 Ca 0.11 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1z12 h ASN 104 Cb 0.22 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1z12 h ASN 104 CO 0.00 0.37 0.00 0.00 -1.06 0.00 0.00 177.43 176.74 1z12 n GLN 105 N -4.49 0.06 -4.77 0.81 6.02 0.21 -4.43 117.38 110.79 1z12 n GLN 105 Ca 0.12 0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.82 1z12 n GLN 105 Cb 0.30 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 1z12 n GLN 105 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1z12 s VAL 106 N -2.04 2.67 -0.13 5.09 1.01 0.11 -5.04 120.40 122.07 1z12 s VAL 106 Ca 0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 1z12 s VAL 106 Cb 0.01 -2.09 -0.26 0.00 0.00 0.00 0.00 36.38 34.05 1z12 s VAL 106 CO 0.02 0.39 0.50 0.50 0.00 0.00 0.00 175.10 176.51 1z12 h LYS 107 N 4.74 0.18 -3.04 2.72 3.64 -1.82 -3.41 116.57 119.58 1z12 h LYS 107 Ca -0.47 -0.31 -0.69 0.00 -1.27 0.00 0.00 60.65 57.91 1z12 h LYS 107 Cb 1.15 0.12 -0.37 0.00 -0.41 0.00 0.00 32.23 32.72 1z12 h LYS 107 CO 0.47 1.15 -0.15 0.27 -2.27 0.00 0.00 179.45 178.92 1z12 n ASN 108 N -4.03 4.20 -4.49 4.20 6.94 -1.26 -5.03 115.26 115.78 1z12 n ASN 108 Ca -0.26 -3.23 -0.43 0.00 -0.02 0.00 0.00 54.58 50.64 1z12 n ASN 108 Cb 0.84 -0.97 -0.08 0.00 -2.36 0.00 0.00 39.78 37.22 1z12 n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1z12 n ARG 110 N 5.86 0.97 -2.75 0.00 -4.01 -0.76 -4.97 116.66 111.01 1z12 n ARG 110 Ca -0.05 -0.80 -0.41 0.00 -1.04 0.00 0.00 57.85 55.55 1z12 n ARG 110 Cb 0.47 -1.48 -0.05 0.00 -3.04 0.00 0.00 32.46 28.36 1z12 n ARG 110 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1z12 s ALA 111 N -2.58 3.28 -0.15 2.89 0.00 -0.91 -4.84 121.76 119.45 1z12 s ALA 111 Ca 0.16 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1z12 s ALA 111 Cb 0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1z12 s ALA 111 CO 0.63 0.05 0.54 0.21 0.00 0.00 0.00 175.76 177.20 1z12 s LYS 112 N -0.38 4.29 -0.19 0.00 2.20 -0.84 -4.92 119.74 119.90 1z12 s LYS 112 Ca 0.45 0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1z12 s LYS 112 Cb -0.24 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 1z12 s LYS 112 CO 0.30 -0.00 -0.08 0.42 -0.36 0.00 0.00 175.35 175.63 1z12 s ILE 113 N 1.13 3.20 0.14 5.43 1.01 -1.26 -0.99 121.20 129.86 1z12 s ILE 113 Ca 0.27 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1z12 s ILE 113 Cb -0.16 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1z12 s ILE 113 CO 0.11 0.47 0.38 -1.83 0.00 0.00 0.00 174.94 174.07 1z12 s GLU 114 N 1.08 1.11 0.09 2.79 -1.05 -0.06 -4.98 118.70 117.68 1z12 s GLU 114 Ca 0.01 -0.83 -0.31 0.00 -0.15 0.00 0.00 54.97 53.69 1z12 s GLU 114 Cb -0.15 0.45 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 1z12 s GLU 114 CO -0.01 -0.43 1.29 -0.51 0.95 0.00 0.00 175.26 176.55 1z12 s LEU 115 N -2.84 4.37 0.15 1.83 1.43 -1.26 -1.01 118.68 121.34 1z12 s LEU 115 Ca 0.06 2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1z12 s LEU 115 Cb 0.02 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1z12 s LEU 115 CO -0.09 -0.55 1.73 0.25 0.23 0.00 0.00 176.35 177.92 1z12 h LEU 116 N 6.75 -0.02 -2.33 1.79 5.85 -1.53 -0.79 115.31 125.04 1z12 h LEU 116 Ca -0.42 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1z12 h LEU 116 Cb 1.21 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1z12 h LEU 116 CO 0.83 0.03 0.22 1.23 -0.34 0.00 0.00 178.44 180.41 1z12 h GLY 117 N 0.15 0.00 1.38 3.75 0.00 -1.79 0.15 103.07 106.71 1z12 h GLY 117 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1z12 h GLY 117 CO -0.20 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.20 1z12 n SER 118 N -3.16 0.00 -0.00 0.19 3.41 -0.30 -0.90 113.62 112.85 1z12 n SER 118 Ca -0.01 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 1z12 n SER 118 Cb 0.29 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1z12 n SER 118 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1z12 n TYR 119 N -1.19 0.00 -1.80 7.33 4.02 0.04 -4.98 117.16 120.58 1z12 n TYR 119 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1z12 n TYR 119 Cb 0.05 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 1z12 n TYR 119 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1z12 s ASP 120 N -3.26 6.52 0.49 7.72 2.15 -0.08 -4.74 116.67 125.47 1z12 s ASP 120 Ca 0.03 2.57 0.26 0.00 0.43 0.00 0.00 52.55 55.84 1z12 s ASP 120 Cb 0.14 -2.55 1.27 0.00 -0.30 0.00 0.00 42.92 41.48 1z12 s ASP 120 CO 0.79 -0.98 1.98 1.55 -0.17 0.00 0.00 175.17 178.34 1z12 h PRO 121 N 9.49 0.00 -0.01 4.34 0.13 -1.88 -0.36 132.00 143.71 1z12 h PRO 121 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1z12 h PRO 121 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1z12 h PRO 121 CO 0.94 0.16 -0.06 1.04 -0.23 0.00 0.00 178.00 179.85 1z12 n GLN 122 N -3.54 1.16 -1.28 0.86 6.02 -1.26 -4.93 117.38 114.40 1z12 n GLN 122 Ca -0.01 -0.51 -0.10 0.00 -0.01 0.00 0.00 57.00 56.37 1z12 n GLN 122 Cb 0.31 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 1z12 n GLN 122 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1z12 n LYS 123 N -0.47 -1.03 -2.47 -1.09 4.76 -0.14 -4.92 118.16 112.79 1z12 n LYS 123 Ca 0.18 0.79 -0.40 0.00 -2.87 0.00 0.00 58.31 56.00 1z12 n LYS 123 Cb 0.28 -4.82 -0.03 0.00 -1.84 0.00 0.00 35.03 28.62 1z12 n LYS 123 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1z12 s GLN 124 N -2.61 3.13 0.23 1.97 -0.21 -1.26 -4.81 119.66 116.10 1z12 s GLN 124 Ca 0.00 -0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.14 1z12 s GLN 124 Cb 0.00 -4.30 0.34 0.00 1.00 0.00 0.00 33.01 30.05 1z12 s GLN 124 CO 0.00 -2.26 1.80 -0.07 -2.12 0.00 0.00 175.29 172.65 1z12 h LEU 125 N 13.58 0.60 -9.43 2.90 3.38 -1.92 -3.43 115.31 120.99 1z12 h LEU 125 Ca -0.24 0.04 -0.59 0.00 0.09 0.00 0.00 57.88 57.18 1z12 h LEU 125 Cb 1.06 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1z12 h LEU 125 CO 1.28 0.36 -0.24 -0.51 0.09 0.00 0.00 178.44 179.42 1z12 s ILE 126 N -6.06 5.20 -0.36 1.22 2.07 -1.26 -3.70 121.20 118.31 1z12 s ILE 126 Ca -0.13 0.74 -0.10 0.00 -1.41 0.00 0.00 60.65 59.75 1z12 s ILE 126 Cb 0.18 -3.70 0.03 0.00 0.13 0.00 0.00 42.46 39.10 1z12 s ILE 126 CO 0.77 0.43 0.18 -0.63 -1.91 0.00 0.00 174.94 173.79 1z12 s ILE 127 N 0.00 4.43 0.48 2.00 1.01 -1.18 -5.05 121.20 122.91 1z12 s ILE 127 Ca 0.21 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1z12 s ILE 127 Cb -0.15 -3.47 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 1z12 s ILE 127 CO 0.09 -0.21 1.11 -1.61 0.00 0.00 0.00 174.94 174.32 1z12 s GLU 128 N 1.53 3.71 -0.08 2.79 0.41 -1.26 -4.65 118.70 121.14 1z12 s GLU 128 Ca 0.02 1.60 -0.30 0.00 -0.41 0.00 0.00 54.97 55.88 1z12 s GLU 128 Cb -0.19 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 1z12 s GLU 128 CO 0.06 -0.55 1.39 0.34 -0.49 0.00 0.00 175.26 176.01 1z12 s ASP 129 N -1.65 6.86 0.00 -0.19 3.68 -1.26 -4.89 116.67 119.22 1z12 s ASP 129 Ca 0.66 1.96 0.24 0.00 2.13 0.00 0.00 52.55 57.54 1z12 s ASP 129 Cb -0.24 -2.55 0.23 0.00 -1.45 0.00 0.00 42.92 38.92 1z12 s ASP 129 CO 0.28 -0.77 1.24 -0.81 0.13 0.00 0.00 175.17 175.24 1z12 n PRO 130 N 6.25 1.36 -0.35 4.34 -0.04 -1.26 -4.57 135.00 140.73 1z12 n PRO 130 Ca 0.14 -1.06 0.04 0.00 -0.04 0.00 0.00 63.50 62.58 1z12 n PRO 130 Cb 0.44 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1z12 n PRO 130 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1z12 h TYR 131 N 2.59 -0.62 -0.08 0.54 3.20 -1.96 0.39 116.97 121.04 1z12 h TYR 131 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1z12 h TYR 131 Cb 0.74 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1z12 h TYR 131 CO 0.00 -0.41 0.00 0.66 -1.64 0.00 0.00 178.16 176.77 1z12 n TYR 132 N -5.58 0.10 -1.15 -3.82 4.02 -1.26 -4.83 117.16 104.64 1z12 n TYR 132 Ca 0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1z12 n TYR 132 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1z12 n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z12 n GLY 133 N 1.08 -0.07 0.00 2.72 0.00 0.14 -5.13 105.19 103.93 1z12 n GLY 133 Ca 0.17 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1z12 n GLY 133 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1z12 n ASN 134 N -1.61 1.27 0.21 1.61 0.23 -1.26 -5.02 115.26 110.70 1z12 n ASN 134 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 1z12 n ASN 134 Cb 0.00 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.12 1z12 n ASN 134 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1z12 h ASP 135 N 0.00 0.00 1.93 0.53 3.45 -1.97 -2.99 116.42 117.37 1z12 h ASP 135 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1z12 h ASP 135 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1z12 h ASP 135 CO 0.00 0.28 -0.04 0.00 -1.57 0.00 0.00 179.24 177.91 1z12 h ALA 136 N 1.72 0.98 0.00 3.45 0.00 -1.99 -2.81 119.26 120.61 1z12 h ALA 136 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1z12 h ALA 136 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1z12 h ALA 136 CO 0.04 0.04 -0.77 -0.44 0.00 0.00 0.00 179.25 178.12 1z12 h ASP 137 N 0.00 0.00 -0.30 0.00 3.32 -1.92 -0.65 116.42 116.87 1z12 h ASP 137 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1z12 h ASP 137 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1z12 h ASP 137 CO 0.00 0.77 -0.43 -0.26 -1.72 0.00 0.00 179.24 177.60 1z12 h PHE 138 N 0.00 1.01 -0.93 4.55 -1.00 -1.51 -0.48 116.94 118.58 1z12 h PHE 138 Ca -0.01 -0.34 0.02 0.00 2.81 0.00 0.00 57.97 60.45 1z12 h PHE 138 Cb 1.50 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.82 1z12 h PHE 138 CO 0.00 1.14 0.61 1.49 -1.61 0.00 0.00 178.31 179.94 1z12 h GLU 139 N 0.59 1.20 -0.59 1.51 4.57 -1.37 0.28 114.58 120.77 1z12 h GLU 139 Ca 0.03 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 1z12 h GLU 139 Cb 1.03 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1z12 h GLU 139 CO 0.10 0.79 0.02 1.79 -1.18 0.00 0.00 179.01 180.53 1z12 h THR 140 N 1.23 1.26 -0.24 0.32 1.35 -0.74 -1.54 112.91 114.56 1z12 h THR 140 Ca 0.35 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1z12 h THR 140 Cb -0.11 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1z12 h THR 140 CO -0.08 0.41 0.12 0.58 -0.25 0.00 0.00 175.52 176.29 1z12 h VAL 141 N 0.93 1.14 -0.40 6.82 2.07 0.57 -2.01 116.25 125.37 1z12 h VAL 141 Ca 0.17 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1z12 h VAL 141 Cb 0.53 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1z12 h VAL 141 CO 0.03 0.14 -0.12 0.22 0.02 0.00 0.00 177.57 177.86 1z12 h TYR 142 N 0.26 -0.27 -0.79 1.57 3.20 -0.31 -0.40 116.97 120.24 1z12 h TYR 142 Ca 0.08 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.14 1z12 h TYR 142 Cb 0.12 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.47 1z12 h TYR 142 CO -0.02 -0.20 0.34 1.96 -1.64 0.00 0.00 178.16 178.60 1z12 h GLN 143 N -0.03 0.47 -0.20 1.82 1.08 -1.00 0.80 115.11 118.05 1z12 h GLN 143 Ca 0.20 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.27 1z12 h GLN 143 Cb 0.32 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1z12 h GLN 143 CO -0.43 0.31 -0.28 1.96 -0.95 0.00 0.00 178.83 179.45 1z12 h GLN 144 N 0.48 0.54 -0.91 1.46 4.20 -0.41 -2.45 115.11 118.02 1z12 h GLN 144 Ca 0.44 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1z12 h GLN 144 Cb 0.67 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 1z12 h GLN 144 CO -0.40 0.91 0.59 0.00 -0.67 0.00 0.00 178.83 179.25 1z12 h VAL 146 N 1.13 0.70 -0.29 0.00 2.07 -0.63 0.49 116.25 119.71 1z12 h VAL 146 Ca 0.37 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.92 1z12 h VAL 146 Cb 0.03 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1z12 h VAL 146 CO -0.13 0.00 0.10 0.03 0.02 0.00 0.00 177.57 177.59 1z12 h ARG 147 N -0.01 0.23 -0.14 1.57 3.08 -0.95 -0.94 114.38 117.23 1z12 h ARG 147 Ca 0.14 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1z12 h ARG 147 Cb 0.22 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1z12 h ARG 147 CO -0.30 0.15 -0.05 0.00 -1.07 0.00 0.00 179.97 178.69 1z12 h ARG 150 N 0.53 1.25 -0.04 0.00 3.08 -1.15 -1.32 114.38 116.73 1z12 h ARG 150 Ca 0.07 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 1z12 h ARG 150 Cb 0.71 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1z12 h ARG 150 CO 0.05 0.90 -0.79 0.00 -1.07 0.00 0.00 179.97 179.06 1z12 h ALA 151 N 1.30 0.57 -0.38 0.04 0.00 -0.30 -3.09 119.26 117.39 1z12 h ALA 151 Ca 0.32 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1z12 h ALA 151 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1z12 h ALA 151 CO -0.05 0.81 0.23 0.35 0.00 0.00 0.00 179.25 180.59 1z12 h PHE 152 N 0.20 0.43 -0.73 0.00 3.57 0.08 -3.04 116.94 117.45 1z12 h PHE 152 Ca -0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1z12 h PHE 152 Cb 1.39 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1z12 h PHE 152 CO 0.04 0.26 0.31 1.25 -2.23 0.00 0.00 178.31 177.94 1z12 h LEU 153 N 0.47 1.00 -1.49 0.59 5.85 -1.28 -2.53 115.31 117.91 1z12 h LEU 153 Ca 0.15 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1z12 h LEU 153 Cb -0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1z12 h LEU 153 CO -0.06 0.88 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.34 1z12 h GLU 154 N 1.05 0.00 0.00 1.25 4.39 -1.45 2.15 114.58 121.96 1z12 h GLU 154 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1z12 h GLU 154 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1z12 h GLU 154 CO -0.02 0.25 -1.08 0.36 -1.16 0.00 0.00 179.01 177.35 1z12 n LYS 155 N -3.84 0.29 -0.02 2.33 2.85 -1.09 -4.25 118.16 114.43 1z12 n LYS 155 Ca -0.02 -0.01 0.03 0.00 -1.05 0.00 0.00 58.31 57.26 1z12 n LYS 155 Cb 0.34 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 1z12 n LYS 155 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1z12 n VAL 156 N -1.95 0.28 0.00 0.58 0.24 -0.97 -5.13 118.33 111.37 1z12 n VAL 156 Ca 0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1z12 n VAL 156 Cb 0.44 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1z12 n VAL 156 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55