#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz0 h ASP 3 N 0.00 0.89 -0.61 1.67 3.45 -2.05 -2.70 116.42 117.07 1rz0 h ASP 3 Ca 0.00 -0.63 -0.01 0.00 0.43 0.00 0.00 57.03 56.82 1rz0 h ASP 3 Cb 0.00 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 1rz0 h ASP 3 CO 0.00 1.37 0.35 -0.09 -1.57 0.00 0.00 179.24 179.30 1rz0 h ARG 4 N 0.47 0.83 -0.41 3.56 2.43 -2.05 -0.20 114.38 119.01 1rz0 h ARG 4 Ca -0.05 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1rz0 h ARG 4 Cb 1.35 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1rz0 h ARG 4 CO 0.15 0.61 0.03 1.25 -1.51 0.00 0.00 179.97 180.51 1rz0 h LEU 5 N 0.82 0.68 0.10 3.80 5.85 -1.99 0.82 115.31 125.40 1rz0 h LEU 5 Ca 0.22 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1rz0 h LEU 5 Cb 0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1rz0 h LEU 5 CO -0.04 0.80 -0.18 0.15 -0.34 0.00 0.00 178.44 178.83 1rz0 h PHE 6 N 0.54 -0.47 -0.87 1.25 3.57 -1.29 -1.09 116.94 118.57 1rz0 h PHE 6 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1rz0 h PHE 6 Cb 0.43 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1rz0 h PHE 6 CO 0.03 -0.27 0.57 0.00 -2.23 0.00 0.00 178.31 176.42 1rz0 h ARG 7 N -0.35 1.16 -0.71 1.11 3.08 -0.87 -2.21 114.38 115.59 1rz0 h ARG 7 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1rz0 h ARG 7 Cb 0.37 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1rz0 h ARG 7 CO -0.10 0.77 0.45 -0.91 -1.07 0.00 0.00 179.97 179.11 1rz0 h ASN 8 N 1.19 0.83 0.00 7.04 2.35 -0.68 -1.31 115.58 125.00 1rz0 h ASN 8 Ca 0.32 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1rz0 h ASN 8 Cb -0.13 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.03 1rz0 h ASN 8 CO -0.07 0.62 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1rz0 n ALA 9 N -2.31 1.41 0.00 -0.83 0.00 -0.43 -2.76 120.51 115.59 1rz0 n ALA 9 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1rz0 n ALA 9 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1rz0 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 11 N 0.61 0.00 0.00 0.00 0.00 -0.50 -3.84 105.19 101.46 1rz0 n GLY 11 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1rz0 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rz0 n LYS 12 N 0.00 0.28 -3.13 1.61 4.76 -1.11 -0.48 118.16 120.08 1rz0 n LYS 12 Ca 0.00 0.02 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 1rz0 n LYS 12 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1rz0 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz0 s PHE 13 N -2.70 3.03 0.49 2.13 5.36 -1.25 -4.95 117.98 120.08 1rz0 s PHE 13 Ca 0.22 -0.60 -0.23 0.00 -0.96 0.00 0.00 56.93 55.37 1rz0 s PHE 13 Cb 0.19 -3.65 -0.06 0.00 -0.34 0.00 0.00 43.02 39.15 1rz0 s PHE 13 CO 0.45 -1.10 1.25 0.00 -1.46 0.00 0.00 175.22 174.36 1rz0 s ALA 14 N 2.70 2.93 0.18 11.12 0.00 -1.26 -4.86 121.76 132.57 1rz0 s ALA 14 Ca 0.15 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1rz0 s ALA 14 Cb -0.20 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1rz0 s ALA 14 CO 0.11 -0.96 0.29 0.95 0.00 0.00 0.00 175.76 176.14 1rz0 s THR 15 N -1.43 0.05 0.00 0.00 -4.23 -0.64 -5.00 115.64 104.40 1rz0 s THR 15 Ca 0.66 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1rz0 s THR 15 Cb -0.34 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1rz0 s THR 15 CO 0.41 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1rz0 n GLY 16 N -0.24 -1.77 2.98 3.99 0.00 -1.26 -0.71 105.19 108.17 1rz0 n GLY 16 Ca -0.05 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 1rz0 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rz0 s VAL 17 N -0.95 0.66 0.31 1.61 1.01 -1.16 -4.47 120.40 117.42 1rz0 s VAL 17 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1rz0 s VAL 17 Cb 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 1rz0 s VAL 17 CO 0.00 0.21 -0.06 0.42 0.00 0.00 0.00 175.10 175.67 1rz0 s THR 18 N 0.20 1.84 -0.14 3.92 -4.23 -0.25 -0.40 115.64 116.58 1rz0 s THR 18 Ca -0.03 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1rz0 s THR 18 Cb -0.08 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1rz0 s THR 18 CO 0.00 -0.23 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.98 1rz0 s VAL 19 N -2.87 2.44 -0.08 2.29 1.01 0.39 -1.16 120.40 122.41 1rz0 s VAL 19 Ca 0.31 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 1rz0 s VAL 19 Cb 0.04 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1rz0 s VAL 19 CO 0.14 0.53 0.71 -0.63 0.00 0.00 0.00 175.10 175.85 1rz0 s ILE 20 N 0.74 5.03 0.17 2.22 -1.09 -1.26 -0.68 121.20 126.33 1rz0 s ILE 20 Ca -0.08 1.45 0.11 0.00 -2.23 0.00 0.00 60.65 59.90 1rz0 s ILE 20 Cb -0.16 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1rz0 s ILE 20 CO 0.01 0.23 -0.24 0.42 -1.23 0.00 0.00 174.94 174.13 1rz0 s THR 21 N 0.96 2.20 0.30 2.92 -4.23 -0.32 -4.13 115.64 113.34 1rz0 s THR 21 Ca 0.37 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 1rz0 s THR 21 Cb -0.18 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.67 1rz0 s THR 21 CO 0.17 -0.09 0.56 0.28 -0.54 0.00 0.00 174.62 175.00 1rz0 s THR 22 N -1.54 0.00 -0.03 3.99 -1.32 0.01 -0.88 115.64 115.87 1rz0 s THR 22 Ca 0.17 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 1rz0 s THR 22 Cb -0.08 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 1rz0 s THR 22 CO 0.08 0.00 -0.11 -0.70 -2.21 0.00 0.00 174.62 171.68 1rz0 s GLU 23 N -3.51 1.12 -0.25 7.08 2.12 -1.26 -0.79 118.70 123.21 1rz0 s GLU 23 Ca 0.22 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 55.13 1rz0 s GLU 23 Cb -0.02 -1.03 0.08 0.00 0.26 0.00 0.00 34.13 33.42 1rz0 s GLU 23 CO 0.12 0.16 0.10 -1.17 -0.54 0.00 0.00 175.26 173.92 1rz0 s LEU 24 N 0.10 1.00 -1.15 2.70 2.96 -0.29 -4.79 118.68 119.19 1rz0 s LEU 24 Ca -0.02 -1.15 -0.19 0.00 -0.22 0.00 0.00 54.13 52.55 1rz0 s LEU 24 Cb -0.09 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1rz0 s LEU 24 CO 0.01 -0.39 0.78 0.59 -1.32 0.00 0.00 176.35 176.01 1rz0 n ASN 25 N 5.13 -5.04 0.00 3.68 3.02 -1.26 -2.56 115.26 118.23 1rz0 n ASN 25 Ca -0.06 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1rz0 n ASN 25 Cb 0.44 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1rz0 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rz0 n GLY 26 N -1.68 2.23 3.72 7.41 0.00 -1.26 -5.01 105.19 110.59 1rz0 n GLY 26 Ca -0.11 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1rz0 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rz0 s ALA 27 N -0.32 3.28 -0.11 4.61 0.00 -1.06 -5.03 121.76 123.14 1rz0 s ALA 27 Ca 0.00 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 1rz0 s ALA 27 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1rz0 s ALA 27 CO 0.00 -0.26 0.61 0.08 0.00 0.00 0.00 175.76 176.18 1rz0 s VAL 28 N 0.66 5.09 -0.00 0.00 1.01 -1.26 -1.14 120.40 124.76 1rz0 s VAL 28 Ca 0.53 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.81 1rz0 s VAL 28 Cb -0.25 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1rz0 s VAL 28 CO 0.30 0.25 -0.26 -1.00 0.00 0.00 0.00 175.10 174.39 1rz0 s HIS 29 N 0.95 2.35 0.12 5.22 3.76 0.03 -5.00 115.29 122.72 1rz0 s HIS 29 Ca 0.32 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1rz0 s HIS 29 Cb -0.16 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 1rz0 s HIS 29 CO 0.14 0.02 0.05 0.41 -0.85 0.00 0.00 174.74 174.50 1rz0 n GLY 30 N 2.24 3.83 3.29 -2.22 0.00 -1.26 -0.81 105.19 110.27 1rz0 n GLY 30 Ca -0.16 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1rz0 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rz0 s THR 32 N -2.03 2.39 -0.11 2.61 2.01 -0.36 -4.94 115.64 115.20 1rz0 s THR 32 Ca 0.07 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 1rz0 s THR 32 Cb 0.00 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.61 1rz0 s THR 32 CO 0.05 0.56 0.29 0.00 -0.69 0.00 0.00 174.62 174.83 1rz0 s ALA 33 N 0.11 -0.72 -0.29 7.40 0.00 -0.31 -4.88 121.76 123.07 1rz0 s ALA 33 Ca -0.10 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1rz0 s ALA 33 Cb -0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1rz0 s ALA 33 CO 0.06 -0.14 0.37 0.27 0.00 0.00 0.00 175.76 176.32 1rz0 n ASN 34 N 2.91 0.72 -3.92 0.00 6.94 -1.26 -1.09 115.26 119.57 1rz0 n ASN 34 Ca -0.13 -0.86 -0.42 0.00 -0.02 0.00 0.00 54.58 53.15 1rz0 n ASN 34 Cb 0.58 0.50 -0.01 0.00 -2.36 0.00 0.00 39.78 38.49 1rz0 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rz0 n ALA 35 N -0.43 4.88 -2.41 -2.53 0.00 -1.26 -4.91 120.51 113.84 1rz0 n ALA 35 Ca 0.01 -3.81 -0.22 0.00 0.00 0.00 0.00 53.44 49.42 1rz0 n ALA 35 Cb 0.07 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 15.87 1rz0 n ALA 35 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rz0 s PHE 36 N 3.72 1.72 0.08 0.00 5.36 -1.26 -1.53 117.98 126.06 1rz0 s PHE 36 Ca 0.50 -1.37 -0.30 0.00 -0.96 0.00 0.00 56.93 54.79 1rz0 s PHE 36 Cb 0.12 -0.98 -0.05 0.00 -0.34 0.00 0.00 43.02 41.77 1rz0 s PHE 36 CO -0.03 -0.47 0.98 0.45 -1.46 0.00 0.00 175.22 174.69 1rz0 s SER 38 N -3.48 7.43 -0.07 6.13 0.15 -1.26 -5.01 113.70 117.58 1rz0 s SER 38 Ca 0.31 1.77 -0.05 0.00 0.70 0.00 0.00 55.95 58.68 1rz0 s SER 38 Cb 0.04 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1rz0 s SER 38 CO 0.18 -0.15 -0.12 0.52 1.20 0.00 0.00 173.24 174.86 1rz0 n VAL 39 N 3.18 0.73 -3.89 4.45 0.31 -0.28 -4.90 118.33 117.95 1rz0 n VAL 39 Ca 0.04 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 1rz0 n VAL 39 Cb 0.49 -1.69 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 1rz0 n VAL 39 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rz0 s SER 40 N -5.90 0.04 -0.17 4.52 0.15 -0.84 -4.95 113.70 106.54 1rz0 s SER 40 Ca -0.13 -0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 1rz0 s SER 40 Cb 0.04 0.19 -0.22 0.00 -1.71 0.00 0.00 66.02 64.32 1rz0 s SER 40 CO 0.17 -0.26 0.26 -0.11 1.20 0.00 0.00 173.24 174.50 1rz0 n LEU 41 N 1.93 2.19 -3.93 3.45 7.94 -1.26 -1.13 117.00 126.19 1rz0 n LEU 41 Ca -0.20 0.33 -0.30 0.00 -1.11 0.00 0.00 56.01 54.72 1rz0 n LEU 41 Cb 0.56 -1.03 -0.15 0.00 0.53 0.00 0.00 43.42 43.33 1rz0 n LEU 41 CO 0.21 0.53 -0.38 0.20 -1.11 0.00 0.00 177.39 176.83 1rz0 s ASN 42 N -6.95 4.14 0.95 1.96 0.01 -1.26 -2.36 114.94 111.43 1rz0 s ASN 42 Ca -0.26 -1.52 -0.14 0.00 -0.71 0.00 0.00 52.86 50.23 1rz0 s ASN 42 Cb 0.06 -1.25 0.16 0.00 0.41 0.00 0.00 41.25 40.64 1rz0 s ASN 42 CO 0.66 -0.30 1.17 -2.16 -1.51 0.00 0.00 177.10 174.96 1rz0 s PRO 43 N 1.30 0.81 -0.65 -0.60 0.04 -1.26 -5.05 135.00 129.58 1rz0 s PRO 43 Ca 0.01 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 60.90 1rz0 s PRO 43 Cb -0.19 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1rz0 s PRO 43 CO -0.10 -2.39 1.51 0.15 0.04 0.00 0.00 177.00 176.21 1rz0 s LYS 44 N -5.42 3.02 0.12 4.56 1.02 -0.99 -4.49 119.74 117.55 1rz0 s LYS 44 Ca 0.66 0.22 0.08 0.00 0.02 0.00 0.00 55.97 56.95 1rz0 s LYS 44 Cb -0.12 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 1rz0 s LYS 44 CO 0.53 -2.30 -0.21 -0.51 -0.92 0.00 0.00 175.35 171.94 1rz0 s LEU 45 N 6.97 2.33 0.14 3.17 1.43 -0.29 -1.09 118.68 131.34 1rz0 s LEU 45 Ca 0.50 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1rz0 s LEU 45 Cb -0.10 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 1rz0 s LEU 45 CO 0.19 0.05 0.06 0.54 0.23 0.00 0.00 176.35 177.42 1rz0 s VAL 46 N -1.34 0.09 -0.05 -1.59 0.11 0.57 -1.12 120.40 117.07 1rz0 s VAL 46 Ca 0.09 -1.91 -0.07 0.00 -2.93 0.00 0.00 61.98 57.15 1rz0 s VAL 46 Cb -0.09 -2.08 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1rz0 s VAL 46 CO 0.05 -0.42 0.19 -0.22 -3.33 0.00 0.00 175.10 171.37 1rz0 s LEU 47 N -3.06 1.30 0.05 2.54 0.20 -1.26 -0.40 118.68 118.05 1rz0 s LEU 47 Ca 0.25 0.23 0.04 0.00 0.69 0.00 0.00 54.13 55.35 1rz0 s LEU 47 Cb 0.07 0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 46.51 1rz0 s LEU 47 CO 0.03 -0.16 -0.12 0.54 -0.29 0.00 0.00 176.35 176.34 1rz0 s VAL 48 N -0.33 0.97 -0.18 1.68 0.11 -0.81 -4.36 120.40 117.48 1rz0 s VAL 48 Ca -0.04 -1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1rz0 s VAL 48 Cb -0.03 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1rz0 s VAL 48 CO 0.01 -0.13 -0.15 -0.55 -3.33 0.00 0.00 175.10 170.95 1rz0 s SER 49 N -1.34 3.54 -0.08 3.54 0.15 -0.58 -0.53 113.70 118.39 1rz0 s SER 49 Ca -0.01 -0.54 0.05 0.00 0.70 0.00 0.00 55.95 56.14 1rz0 s SER 49 Cb -0.09 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1rz0 s SER 49 CO 0.01 0.02 -0.23 -0.63 1.20 0.00 0.00 173.24 173.61 1rz0 s ILE 50 N 1.21 2.17 0.51 6.45 1.01 -0.26 -4.77 121.20 127.52 1rz0 s ILE 50 Ca 0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 1rz0 s ILE 50 Cb -0.14 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 1rz0 s ILE 50 CO -0.07 0.56 1.27 -0.83 0.00 0.00 0.00 174.94 175.87 1rz0 s GLY 51 N 0.05 2.83 0.60 6.18 0.00 -1.26 -0.52 107.32 115.20 1rz0 s GLY 51 Ca -0.10 1.14 0.36 0.00 0.00 0.00 0.00 44.72 46.13 1rz0 s GLY 51 CO 0.06 1.63 2.20 1.05 0.00 0.00 0.00 173.10 178.03 1rz0 h GLU 52 N 1.65 0.00 -0.02 2.90 4.11 -1.38 -2.04 114.58 119.81 1rz0 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz0 h GLU 52 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1rz0 h GLU 52 CO 0.58 0.03 -0.09 1.63 0.07 0.00 0.00 179.01 181.24 1rz0 n LYS 53 N -3.29 1.62 -2.70 1.06 4.01 -1.26 -4.94 118.16 112.66 1rz0 n LYS 53 Ca -0.02 -1.10 -0.42 0.00 -0.51 0.00 0.00 58.31 56.26 1rz0 n LYS 53 Cb 0.17 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.18 1rz0 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rz0 s ALA 54 N -2.13 3.20 0.00 7.82 0.00 -0.77 -5.02 121.76 124.85 1rz0 s ALA 54 Ca 0.31 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1rz0 s ALA 54 Cb 0.20 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1rz0 s ALA 54 CO 0.38 -0.19 0.00 1.63 0.00 0.00 0.00 175.76 177.58 1rz0 n LYS 55 N 3.61 0.00 0.00 0.00 5.02 -1.26 -4.28 118.16 121.24 1rz0 n LYS 55 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1rz0 n LYS 55 Cb 0.50 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1rz0 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rz0 n LEU 57 N 1.65 0.00 -0.09 -0.35 0.00 -1.26 -2.99 117.00 113.96 1rz0 n LEU 57 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1rz0 n LEU 57 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 43.42 43.68 1rz0 n LEU 57 CO 0.00 0.00 1.02 1.05 0.00 0.00 0.00 177.39 179.46 1rz0 h GLU 58 N 0.00 0.73 -0.65 1.96 9.09 -1.96 -1.54 114.58 122.21 1rz0 h GLU 58 Ca 0.00 -0.12 0.08 0.00 0.05 0.00 0.00 59.36 59.36 1rz0 h GLU 58 Cb 0.00 -0.12 -0.06 0.00 -1.65 0.00 0.00 28.75 26.91 1rz0 h GLU 58 CO 0.00 0.63 0.32 0.87 0.05 0.00 0.00 179.01 180.89 1rz0 h LYS 59 N 0.72 0.56 -0.00 1.06 1.79 -1.89 -1.01 116.57 117.79 1rz0 h LYS 59 Ca 0.17 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.37 1rz0 h LYS 59 Cb 0.21 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1rz0 h LYS 59 CO -0.01 0.37 -0.96 0.82 -1.08 0.00 0.00 179.45 178.60 1rz0 h ILE 60 N 0.58 1.38 -0.94 1.86 2.04 -1.78 -1.19 117.51 119.46 1rz0 h ILE 60 Ca 0.31 -2.41 0.09 0.00 1.00 0.00 0.00 64.86 63.85 1rz0 h ILE 60 Cb 0.28 2.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 1rz0 h ILE 60 CO -0.23 0.72 0.61 1.56 0.00 0.00 0.00 178.15 180.81 1rz0 h GLN 61 N 0.26 0.95 0.00 2.37 4.20 -0.95 0.36 115.11 122.29 1rz0 h GLN 61 Ca -0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1rz0 h GLN 61 Cb 1.59 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1rz0 h GLN 61 CO 0.17 0.63 -0.00 1.96 -0.67 0.00 0.00 178.83 180.92 1rz0 h GLN 62 N 0.98 -0.00 0.00 1.46 4.20 -1.12 -3.35 115.11 117.29 1rz0 h GLN 62 Ca 0.44 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 1rz0 h GLN 62 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1rz0 h GLN 62 CO -0.20 0.93 -0.28 0.66 -0.67 0.00 0.00 178.83 179.28 1rz0 h SER 63 N -0.98 0.00 -3.56 1.46 4.64 -1.19 -3.47 113.55 110.45 1rz0 h SER 63 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1rz0 h SER 63 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1rz0 h SER 63 CO 0.00 0.28 -0.39 0.29 -0.87 0.00 0.00 176.83 176.14 1rz0 n LYS 64 N -3.43 -2.05 -3.60 4.77 4.76 0.12 -4.95 118.16 113.79 1rz0 n LYS 64 Ca 0.00 0.73 -0.12 0.00 -2.87 0.00 0.00 58.31 56.06 1rz0 n LYS 64 Cb 0.46 -5.36 -0.05 0.00 -1.84 0.00 0.00 35.03 28.25 1rz0 n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1rz0 s LYS 65 N -5.04 1.07 -0.04 1.97 -2.85 -1.25 -0.84 119.74 112.76 1rz0 s LYS 65 Ca 0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.14 1rz0 s LYS 65 Cb -0.00 0.48 0.09 0.00 -2.06 0.00 0.00 37.83 36.34 1rz0 s LYS 65 CO 0.00 -0.41 0.80 1.52 0.10 0.00 0.00 175.35 177.35 1rz0 s TYR 66 N -3.35 -0.50 0.04 1.78 -0.85 -0.91 -4.77 117.35 108.80 1rz0 s TYR 66 Ca -0.00 0.69 0.05 0.00 -0.52 0.00 0.00 57.07 57.29 1rz0 s TYR 66 Cb 0.01 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1rz0 s TYR 66 CO -0.09 -0.56 -0.11 0.00 -1.52 0.00 0.00 175.55 173.27 1rz0 s ALA 67 N -1.94 2.88 -0.24 9.51 0.00 -0.06 -0.52 121.76 131.38 1rz0 s ALA 67 Ca -0.03 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 1rz0 s ALA 67 Cb -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1rz0 s ALA 67 CO 0.00 0.61 0.04 0.08 0.00 0.00 0.00 175.76 176.49 1rz0 s VAL 68 N -1.03 4.06 -0.40 0.00 1.01 0.71 -1.17 120.40 123.58 1rz0 s VAL 68 Ca 0.17 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1rz0 s VAL 68 Cb -0.11 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.45 1rz0 s VAL 68 CO 0.08 0.35 0.22 0.20 0.00 0.00 0.00 175.10 175.95 1rz0 s ASN 69 N 1.58 5.51 -0.10 3.32 0.01 0.14 -1.59 114.94 123.80 1rz0 s ASN 69 Ca 0.06 -1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 50.40 1rz0 s ASN 69 Cb -0.15 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1rz0 s ASN 69 CO 0.02 -0.50 1.17 -0.63 -1.51 0.00 0.00 177.10 175.65 1rz0 s ILE 70 N 1.37 4.38 0.12 0.60 1.01 -0.09 -0.46 121.20 128.13 1rz0 s ILE 70 Ca 0.03 1.69 -0.27 0.00 0.00 0.00 0.00 60.65 62.10 1rz0 s ILE 70 Cb -0.22 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1rz0 s ILE 70 CO 0.01 -0.04 0.83 -0.76 0.00 0.00 0.00 174.94 174.98 1rz0 s LEU 71 N 2.50 4.53 0.70 2.97 1.43 0.46 0.26 118.68 131.52 1rz0 s LEU 71 Ca 0.53 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 1rz0 s LEU 71 Cb -0.22 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1rz0 s LEU 71 CO 0.19 0.07 1.07 -0.94 0.23 0.00 0.00 176.35 176.97 1rz0 s SER 72 N -0.50 5.44 0.57 2.29 1.04 -1.26 -2.09 113.70 119.20 1rz0 s SER 72 Ca 0.40 1.35 0.34 0.00 0.48 0.00 0.00 55.95 58.52 1rz0 s SER 72 Cb -0.23 -2.22 1.44 0.00 0.10 0.00 0.00 66.02 65.11 1rz0 s SER 72 CO 0.27 -1.37 1.72 -0.61 0.98 0.00 0.00 173.24 174.22 1rz0 h GLN 73 N -0.67 0.00 -0.45 4.02 4.15 -0.55 -2.02 115.11 119.59 1rz0 h GLN 73 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1rz0 h GLN 73 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1rz0 h GLN 73 CO 0.61 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.26 1rz0 n ASP 74 N -3.85 2.13 -0.65 -0.69 8.00 -1.26 -4.35 116.55 115.88 1rz0 n ASP 74 Ca 0.22 -2.10 0.06 0.00 0.71 0.00 0.00 54.79 53.68 1rz0 n ASP 74 Cb 1.22 -0.31 0.13 0.00 -0.02 0.00 0.00 41.12 42.14 1rz0 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n GLN 75 N 0.44 1.03 -0.36 -1.24 6.02 -0.76 -4.75 117.38 117.76 1rz0 n GLN 75 Ca 0.12 -2.63 0.01 0.00 -0.01 0.00 0.00 57.00 54.48 1rz0 n GLN 75 Cb 0.38 -1.15 0.15 0.00 1.02 0.00 0.00 30.24 30.64 1rz0 n GLN 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rz0 h LYS 76 N 0.66 1.15 -0.68 -1.09 3.64 -1.77 -1.98 116.57 116.51 1rz0 h LYS 76 Ca -0.05 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1rz0 h LYS 76 Cb 1.22 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1rz0 h LYS 76 CO 0.02 0.76 0.45 0.28 -2.27 0.00 0.00 179.45 178.69 1rz0 h VAL 77 N 1.19 1.16 -0.91 2.00 2.07 -1.96 -2.15 116.25 117.66 1rz0 h VAL 77 Ca 0.40 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1rz0 h VAL 77 Cb 0.07 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1rz0 h VAL 77 CO -0.15 0.17 0.58 -0.07 0.02 0.00 0.00 177.57 178.12 1rz0 h LEU 78 N 0.91 1.06 -0.65 2.57 3.38 -1.79 0.55 115.31 121.34 1rz0 h LEU 78 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1rz0 h LEU 78 Cb -0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1rz0 h LEU 78 CO -0.06 0.78 0.00 -0.24 0.09 0.00 0.00 178.44 179.01 1rz0 n SER 79 N -4.43 0.00 0.00 -0.43 2.88 -0.79 -1.54 113.62 109.30 1rz0 n SER 79 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1rz0 n SER 79 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1rz0 n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rz0 n ASN 81 N 0.12 0.00 0.00 -3.46 5.15 0.18 -1.73 115.26 115.52 1rz0 n ASN 81 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 1rz0 n ASN 81 Cb 0.00 0.00 0.85 0.00 -0.53 0.00 0.00 39.78 40.10 1rz0 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz0 n PHE 82 N 0.00 0.00 0.19 1.20 3.72 -0.59 -2.00 117.46 119.98 1rz0 n PHE 82 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1rz0 n PHE 82 Cb 0.00 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.77 1rz0 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rz0 n ALA 83 N -0.97 2.41 -2.07 4.37 0.00 -0.71 -1.23 120.51 122.31 1rz0 n ALA 83 Ca 0.21 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1rz0 n ALA 83 Cb 0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1rz0 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 84 N 1.50 0.17 0.65 0.00 0.00 -0.85 -4.95 105.19 101.70 1rz0 n GLY 84 Ca 0.20 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1rz0 n GLY 84 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rz0 n GLN 85 N -2.40 1.63 -4.89 1.61 -0.06 -1.26 -4.91 117.38 107.09 1rz0 n GLN 85 Ca -0.16 -1.30 -0.31 0.00 -2.00 0.00 0.00 57.00 53.23 1rz0 n GLN 85 Cb 0.59 -1.47 -0.14 0.00 -4.06 0.00 0.00 30.24 25.16 1rz0 n GLN 85 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1rz0 s LEU 86 N -2.27 2.49 0.27 1.69 1.43 -1.26 -4.95 118.68 116.07 1rz0 s LEU 86 Ca 0.24 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1rz0 s LEU 86 Cb 0.19 -1.47 0.37 0.00 0.03 0.00 0.00 46.19 45.31 1rz0 s LEU 86 CO 0.45 0.30 1.68 -0.33 0.23 0.00 0.00 176.35 178.68 1rz0 h GLU 87 N 5.01 0.43 -4.98 1.70 4.39 -2.00 -3.42 114.58 115.71 1rz0 h GLU 87 Ca -0.46 -0.19 -0.67 0.00 0.34 0.00 0.00 59.36 58.38 1rz0 h GLU 87 Cb 1.15 -0.01 -0.32 0.00 -0.10 0.00 0.00 28.75 29.47 1rz0 h GLU 87 CO 0.48 0.72 -0.77 0.21 -1.16 0.00 0.00 179.01 178.48 1rz0 s LYS 88 N -4.31 3.04 0.51 2.33 2.20 -1.26 -5.10 119.74 117.16 1rz0 s LYS 88 Ca -0.06 -0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 54.51 1rz0 s LYS 88 Cb 0.13 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.53 1rz0 s LYS 88 CO 0.79 -0.28 1.20 -2.14 -0.36 0.00 0.00 175.35 174.56 1rz0 s PRO 89 N 1.36 3.44 0.35 4.03 0.02 -1.26 -5.01 135.00 137.93 1rz0 s PRO 89 Ca 0.03 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.82 1rz0 s PRO 89 Cb -0.15 -2.22 -0.05 0.00 0.02 0.00 0.00 34.50 32.10 1rz0 s PRO 89 CO -0.07 -0.83 0.65 0.14 -0.33 0.00 0.00 177.00 176.56 1rz0 s VAL 90 N -1.56 4.94 -0.52 3.83 -7.23 -1.26 -5.04 120.40 113.56 1rz0 s VAL 90 Ca 0.69 0.20 -0.24 0.00 -1.81 0.00 0.00 61.98 60.82 1rz0 s VAL 90 Cb -0.30 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 32.92 1rz0 s VAL 90 CO 0.35 -0.47 0.93 -0.62 -0.31 0.00 0.00 175.10 174.98 1rz0 s ASP 91 N -3.35 6.38 -0.04 4.85 2.15 -1.26 -5.02 116.67 120.38 1rz0 s ASP 91 Ca 0.46 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 53.06 1rz0 s ASP 91 Cb -0.10 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1rz0 s ASP 91 CO 0.33 -1.17 0.46 -0.69 -0.17 0.00 0.00 175.17 173.92 1rz0 s VAL 92 N 3.88 5.06 -0.46 1.11 1.01 -1.26 -5.04 120.40 124.70 1rz0 s VAL 92 Ca 0.32 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 1rz0 s VAL 92 Cb -0.12 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1rz0 s VAL 92 CO 0.21 0.46 1.06 -1.10 0.00 0.00 0.00 175.10 175.73 1rz0 s GLN 93 N -0.31 3.69 -0.01 2.72 -1.52 -1.26 -5.04 119.66 117.93 1rz0 s GLN 93 Ca 0.25 0.47 -0.00 0.00 -1.95 0.00 0.00 55.36 54.13 1rz0 s GLN 93 Cb -0.16 -3.90 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 1rz0 s GLN 93 CO 0.13 -1.29 0.06 -0.06 -0.25 0.00 0.00 175.29 173.87 1rz0 s PHE 94 N 4.15 3.23 0.00 0.91 0.40 -1.26 -1.71 117.98 123.71 1rz0 s PHE 94 Ca 0.44 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1rz0 s PHE 94 Cb -0.08 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.71 1rz0 s PHE 94 CO 0.29 0.53 0.00 -0.85 0.70 0.00 0.00 175.22 175.89 1rz0 n GLU 95 N 1.33 1.96 -4.29 0.44 0.28 0.08 -4.87 120.64 115.57 1rz0 n GLU 95 Ca -0.14 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.68 1rz0 n GLU 95 Cb 0.53 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.25 1rz0 n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rz0 s GLU 96 N -0.03 0.63 -0.21 3.44 2.12 -1.26 -0.83 118.70 122.55 1rz0 s GLU 96 Ca 0.00 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 1rz0 s GLU 96 Cb 0.00 -0.61 0.10 0.00 0.26 0.00 0.00 34.13 33.88 1rz0 s GLU 96 CO 0.00 0.16 0.46 -1.17 -0.54 0.00 0.00 175.26 174.17 1rz0 s LEU 97 N -0.15 -0.70 -1.54 2.70 2.96 0.13 -4.91 118.68 117.17 1rz0 s LEU 97 Ca 0.03 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1rz0 s LEU 97 Cb -0.03 1.53 0.01 0.00 0.50 0.00 0.00 46.19 48.20 1rz0 s LEU 97 CO -0.00 -0.23 0.45 0.61 -1.32 0.00 0.00 176.35 175.86 1rz0 n GLY 98 N 5.31 -0.51 2.10 7.98 0.00 -1.26 -1.51 105.19 117.30 1rz0 n GLY 98 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rz0 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rz0 n GLY 99 N -1.35 0.69 3.46 -0.02 0.00 -1.26 -4.96 105.19 101.75 1rz0 n GLY 99 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1rz0 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rz0 s LEU 100 N 0.00 2.61 0.18 0.99 1.43 -0.57 -4.95 118.68 118.36 1rz0 s LEU 100 Ca 0.00 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.34 1rz0 s LEU 100 Cb 0.00 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.63 1rz0 s LEU 100 CO 0.00 0.24 1.25 -2.16 0.23 0.00 0.00 176.35 175.91 1rz0 s PRO 101 N -1.55 4.44 0.12 1.29 0.04 -1.26 -0.70 135.00 137.38 1rz0 s PRO 101 Ca 0.15 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1rz0 s PRO 101 Cb -0.10 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1rz0 s PRO 101 CO 0.06 -0.18 -0.07 0.14 0.04 0.00 0.00 177.00 176.99 1rz0 s VAL 102 N 0.13 0.87 -0.18 -0.36 -7.23 -0.01 -4.67 120.40 108.94 1rz0 s VAL 102 Ca 0.55 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 1rz0 s VAL 102 Cb -0.34 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1rz0 s VAL 102 CO 0.37 -0.80 0.47 -0.63 -0.31 0.00 0.00 175.10 174.19 1rz0 s ILE 103 N -3.52 5.16 0.34 -0.62 1.01 -1.26 -0.74 121.20 121.58 1rz0 s ILE 103 Ca 0.14 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 1rz0 s ILE 103 Cb 0.04 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 1rz0 s ILE 103 CO -0.02 0.24 1.47 1.17 0.00 0.00 0.00 174.94 177.80 1rz0 n LYS 104 N 4.37 2.55 -0.99 2.79 4.81 -0.69 -2.56 118.16 128.44 1rz0 n LYS 104 Ca -0.07 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1rz0 n LYS 104 Cb 0.51 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1rz0 n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rz0 n ASP 105 N 1.00 -3.93 -4.66 3.14 8.00 -1.26 -4.99 116.55 113.85 1rz0 n ASP 105 Ca 0.04 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.19 1rz0 n ASP 105 Cb 0.37 -1.62 0.10 0.00 -0.02 0.00 0.00 41.12 39.95 1rz0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n ALA 106 N 1.00 0.04 -0.34 2.24 0.00 -1.06 -4.73 120.51 117.66 1rz0 n ALA 106 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1rz0 n ALA 106 Cb 0.18 -2.19 0.12 0.00 0.00 0.00 0.00 19.45 17.56 1rz0 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz0 h LEU 107 N -0.35 0.99 -7.31 0.00 5.85 -0.46 -3.43 115.31 110.59 1rz0 h LEU 107 Ca -0.48 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 1rz0 h LEU 107 Cb 1.32 -0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.96 1rz0 h LEU 107 CO 0.47 0.68 -0.06 0.00 -0.34 0.00 0.00 178.44 179.20 1rz0 s ALA 108 N -6.09 -1.14 -0.05 1.25 0.00 -1.09 -1.51 121.76 113.13 1rz0 s ALA 108 Ca -0.13 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1rz0 s ALA 108 Cb 0.18 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1rz0 s ALA 108 CO 0.80 -0.45 -0.10 -0.65 0.00 0.00 0.00 175.76 175.36 1rz0 s GLN 109 N -2.31 1.38 -0.17 0.00 -0.21 0.39 -0.92 119.66 117.83 1rz0 s GLN 109 Ca -0.06 -0.34 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 1rz0 s GLN 109 Cb -0.01 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.86 1rz0 s GLN 109 CO -0.01 0.03 0.04 0.42 -2.12 0.00 0.00 175.29 173.65 1rz0 s ILE 110 N 0.60 0.36 -0.11 1.08 1.01 -0.62 -0.93 121.20 122.59 1rz0 s ILE 110 Ca -0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 1rz0 s ILE 110 Cb -0.14 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1rz0 s ILE 110 CO 0.02 -0.14 0.18 -0.44 0.00 0.00 0.00 174.94 174.56 1rz0 s SER 111 N 1.94 6.45 0.04 3.58 0.01 -0.25 -0.21 113.70 125.27 1rz0 s SER 111 Ca 0.01 0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1rz0 s SER 111 Cb -0.16 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1rz0 s SER 111 CO -0.08 0.38 -0.05 0.00 0.41 0.00 0.00 173.24 173.91 1rz0 s GLN 113 N -2.00 3.48 0.11 0.00 -1.52 -0.10 -2.14 119.66 117.50 1rz0 s GLN 113 Ca -0.09 -0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 52.39 1rz0 s GLN 113 Cb -0.07 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 29.90 1rz0 s GLN 113 CO -0.02 0.23 1.67 0.08 -0.25 0.00 0.00 175.29 177.01 1rz0 s VAL 114 N 0.33 2.79 -0.19 1.09 1.01 -0.02 -0.63 120.40 124.79 1rz0 s VAL 114 Ca -0.08 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1rz0 s VAL 114 Cb -0.15 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1rz0 s VAL 114 CO 0.05 0.01 0.20 1.33 0.00 0.00 0.00 175.10 176.69 1rz0 n VAL 115 N 4.52 0.00 -3.57 2.92 0.24 0.06 -4.89 118.33 117.60 1rz0 n VAL 115 Ca 0.16 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.34 61.99 1rz0 n VAL 115 Cb 0.39 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.53 1rz0 n VAL 115 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rz0 s ASN 116 N -1.83 -0.63 -0.08 -1.34 3.04 -1.15 -5.02 114.94 107.94 1rz0 s ASN 116 Ca 0.01 0.82 0.02 0.00 0.04 0.00 0.00 52.86 53.75 1rz0 s ASN 116 Cb 0.04 0.72 0.01 0.00 -1.54 0.00 0.00 41.25 40.49 1rz0 s ASN 116 CO 0.23 -0.50 -0.12 -1.61 -3.04 0.00 0.00 177.10 172.05 1rz0 s GLU 117 N -0.83 1.77 -0.14 0.43 2.02 -1.26 -1.54 118.70 119.16 1rz0 s GLU 117 Ca -0.09 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.46 1rz0 s GLU 117 Cb -0.02 -1.50 0.04 0.00 0.10 0.00 0.00 34.13 32.76 1rz0 s GLU 117 CO 0.07 -0.01 0.01 0.08 0.02 0.00 0.00 175.26 175.43 1rz0 s VAL 118 N 0.80 0.57 0.26 2.63 1.01 -0.46 -4.97 120.40 120.24 1rz0 s VAL 118 Ca -0.12 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1rz0 s VAL 118 Cb -0.15 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1rz0 s VAL 118 CO 0.02 0.04 1.27 -1.58 0.00 0.00 0.00 175.10 174.86 1rz0 s GLN 119 N 1.87 4.42 -0.30 2.72 0.74 -1.26 0.23 119.66 128.07 1rz0 s GLN 119 Ca 0.02 2.07 -0.01 0.00 0.05 0.00 0.00 55.36 57.50 1rz0 s GLN 119 Cb -0.15 -3.15 0.13 0.00 1.10 0.00 0.00 33.01 30.95 1rz0 s GLN 119 CO -0.07 -0.15 0.28 0.00 -0.55 0.00 0.00 175.29 174.80 1rz0 s ALA 120 N -0.56 -0.27 0.00 1.58 0.00 -0.03 -4.91 121.76 117.55 1rz0 s ALA 120 Ca 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1rz0 s ALA 120 Cb -0.37 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1rz0 s ALA 120 CO 0.44 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.86 1rz0 n GLY 121 N 5.18 2.96 0.33 0.00 0.00 -1.26 -1.71 105.19 110.70 1rz0 n GLY 121 Ca -0.01 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1rz0 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rz0 h ASP 122 N 0.00 0.00 -4.74 1.61 3.45 -1.98 -3.46 116.42 111.30 1rz0 h ASP 122 Ca 0.00 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.22 1rz0 h ASP 122 Cb 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.62 1rz0 h ASP 122 CO 0.00 0.00 -0.67 -1.00 -1.57 0.00 0.00 179.24 176.00 1rz0 s HIS 123 N -4.06 1.01 -0.08 4.55 3.76 -0.69 -0.93 115.29 118.85 1rz0 s HIS 123 Ca -0.03 -1.03 0.04 0.00 -0.15 0.00 0.00 55.06 53.89 1rz0 s HIS 123 Cb 0.07 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 33.16 1rz0 s HIS 123 CO 0.24 -0.26 -0.19 0.99 -0.85 0.00 0.00 174.74 174.67 1rz0 s THR 124 N -3.73 2.63 -0.22 1.30 2.01 0.33 -0.85 115.64 117.10 1rz0 s THR 124 Ca 0.19 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 1rz0 s THR 124 Cb 0.06 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1rz0 s THR 124 CO 0.00 0.56 0.55 -0.76 -0.69 0.00 0.00 174.62 174.29 1rz0 s LEU 125 N -0.19 4.11 -0.39 4.42 1.43 0.13 -1.11 118.68 127.09 1rz0 s LEU 125 Ca -0.01 0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 1rz0 s LEU 125 Cb -0.13 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.39 1rz0 s LEU 125 CO 0.03 -0.25 0.22 -0.36 0.23 0.00 0.00 176.35 176.22 1rz0 s PHE 126 N 1.95 3.30 -0.23 0.29 0.08 0.31 -1.35 117.98 122.32 1rz0 s PHE 126 Ca 0.25 -1.35 -0.24 0.00 0.12 0.00 0.00 56.93 55.70 1rz0 s PHE 126 Cb -0.16 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1rz0 s PHE 126 CO 0.09 -0.77 0.82 0.42 -0.10 0.00 0.00 175.22 175.68 1rz0 s ILE 127 N 1.46 4.86 -0.08 0.64 1.01 -0.59 -1.92 121.20 126.58 1rz0 s ILE 127 Ca 0.02 1.56 0.04 0.00 0.00 0.00 0.00 60.65 62.26 1rz0 s ILE 127 Cb -0.21 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 1rz0 s ILE 127 CO 0.04 -0.04 -0.19 -0.83 0.00 0.00 0.00 174.94 173.92 1rz0 s GLY 128 N 1.30 1.43 -0.07 6.18 0.00 0.46 -0.77 107.32 115.87 1rz0 s GLY 128 Ca 0.35 -0.98 -0.23 0.00 0.00 0.00 0.00 44.72 43.86 1rz0 s GLY 128 CO 0.08 -0.55 0.67 1.85 0.00 0.00 0.00 173.10 175.15 1rz0 s GLU 129 N -0.18 4.42 -0.08 2.90 2.12 0.20 -0.31 118.70 127.77 1rz0 s GLU 129 Ca -0.01 0.82 -0.28 0.00 0.36 0.00 0.00 54.97 55.85 1rz0 s GLU 129 Cb -0.13 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1rz0 s GLU 129 CO 0.03 0.09 0.94 0.08 -0.54 0.00 0.00 175.26 175.86 1rz0 s VAL 130 N 0.73 4.85 -0.09 3.70 1.01 -0.25 -0.92 120.40 129.43 1rz0 s VAL 130 Ca 0.36 1.92 0.13 0.00 0.00 0.00 0.00 61.98 64.39 1rz0 s VAL 130 Cb -0.17 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 1rz0 s VAL 130 CO 0.17 0.08 0.15 0.35 0.00 0.00 0.00 175.10 175.86 1rz0 n THR 131 N 4.30 0.60 -3.71 3.92 -2.24 0.12 -4.89 114.28 112.37 1rz0 n THR 131 Ca 0.06 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 1rz0 n THR 131 Cb 0.50 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1rz0 n THR 131 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rz0 s ASP 132 N -4.34 -0.46 -0.00 3.42 1.01 -1.22 -5.02 116.67 110.06 1rz0 s ASP 132 Ca -0.06 0.84 0.01 0.00 0.71 0.00 0.00 52.55 54.05 1rz0 s ASP 132 Cb 0.06 0.87 -0.00 0.00 1.01 0.00 0.00 42.92 44.85 1rz0 s ASP 132 CO 0.59 -0.21 -0.05 -0.63 0.21 0.00 0.00 175.17 175.08 1rz0 s ILE 133 N 0.02 0.36 -0.02 0.77 1.01 -1.26 -1.08 121.20 120.98 1rz0 s ILE 133 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1rz0 s ILE 133 Cb -0.03 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.13 1rz0 s ILE 133 CO 0.01 0.07 -0.04 -0.75 0.00 0.00 0.00 174.94 174.23 1rz0 s LYS 134 N -0.20 0.56 0.07 2.79 2.47 -0.11 -4.99 119.74 120.34 1rz0 s LYS 134 Ca 0.01 -0.12 0.06 0.00 -1.56 0.00 0.00 55.97 54.36 1rz0 s LYS 134 Cb -0.02 -0.58 -0.03 0.00 -1.46 0.00 0.00 37.83 35.73 1rz0 s LYS 134 CO -0.00 0.01 -0.16 0.42 0.16 0.00 0.00 175.35 175.77 1rz0 s ILE 135 N 0.43 1.29 0.34 5.43 1.01 -1.26 -0.46 121.20 127.98 1rz0 s ILE 135 Ca -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.31 1rz0 s ILE 135 Cb -0.09 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1rz0 s ILE 135 CO -0.00 -0.13 0.11 0.42 0.00 0.00 0.00 174.94 175.33 1rz0 s THR 136 N -1.16 0.74 -0.50 2.92 -4.23 -0.57 -5.00 115.64 107.85 1rz0 s THR 136 Ca 0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1rz0 s THR 136 Cb -0.10 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.71 1rz0 s THR 136 CO 0.03 0.00 1.81 -0.62 -0.54 0.00 0.00 174.62 175.29 1rz0 n GLU 137 N -0.72 2.54 -1.79 3.99 -0.58 -1.26 -4.88 120.64 117.94 1rz0 n GLU 137 Ca -0.03 -3.31 -0.30 0.00 -0.42 0.00 0.00 57.16 53.11 1rz0 n GLU 137 Cb 0.66 -2.18 0.07 0.00 -0.57 0.00 0.00 31.44 29.42 1rz0 n GLU 137 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1rz0 s GLN 138 N -3.56 2.33 0.26 3.49 -0.21 -1.26 -5.05 119.66 115.66 1rz0 s GLN 138 Ca 0.58 0.39 -0.17 0.00 0.02 0.00 0.00 55.36 56.18 1rz0 s GLN 138 Cb 0.47 -1.97 -0.08 0.00 1.00 0.00 0.00 33.01 32.43 1rz0 s GLN 138 CO 0.03 -1.39 0.72 -0.51 -2.12 0.00 0.00 175.29 172.02 1rz0 s ASP 139 N -4.30 6.92 0.23 5.90 1.01 -1.26 -4.99 116.67 120.18 1rz0 s ASP 139 Ca 0.60 1.34 -0.10 0.00 0.71 0.00 0.00 52.55 55.10 1rz0 s ASP 139 Cb -0.12 -2.39 -0.07 0.00 1.01 0.00 0.00 42.92 41.35 1rz0 s ASP 139 CO 0.52 -0.07 0.55 -2.16 0.21 0.00 0.00 175.17 174.22 1rz0 s PRO 140 N -2.42 3.81 0.14 8.23 0.04 -1.26 0.02 135.00 143.55 1rz0 s PRO 140 Ca 0.48 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1rz0 s PRO 140 Cb -0.14 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1rz0 s PRO 140 CO 0.19 0.32 1.14 -1.17 0.04 0.00 0.00 177.00 177.52 1rz0 s LEU 141 N -2.78 4.44 0.23 -3.56 2.96 -0.89 -4.03 118.68 115.06 1rz0 s LEU 141 Ca 0.47 2.07 0.10 0.00 -0.22 0.00 0.00 54.13 56.55 1rz0 s LEU 141 Cb -0.11 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1rz0 s LEU 141 CO 0.21 -0.32 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.10 1rz0 s LEU 142 N 0.13 3.04 -0.03 -0.68 1.43 -0.60 -3.00 118.68 118.98 1rz0 s LEU 142 Ca 0.53 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1rz0 s LEU 142 Cb -0.30 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1rz0 s LEU 142 CO 0.33 0.05 -0.02 0.12 0.23 0.00 0.00 176.35 177.05 1rz0 s PHE 143 N -2.09 0.48 -0.26 0.29 5.36 0.11 -1.24 117.98 120.62 1rz0 s PHE 143 Ca 0.29 -0.08 -0.19 0.00 -0.96 0.00 0.00 56.93 55.98 1rz0 s PHE 143 Cb -0.07 -0.47 0.07 0.00 -0.34 0.00 0.00 43.02 42.21 1rz0 s PHE 143 CO 0.17 -0.13 0.67 0.12 -1.46 0.00 0.00 175.22 174.60 1rz0 s PHE 144 N 0.78 -0.90 -1.59 10.12 5.36 -0.30 -1.61 117.98 129.84 1rz0 s PHE 144 Ca -0.09 1.96 -0.16 0.00 -0.96 0.00 0.00 56.93 57.68 1rz0 s PHE 144 Cb -0.12 0.45 0.11 0.00 -0.34 0.00 0.00 43.02 43.12 1rz0 s PHE 144 CO -0.01 -0.45 0.91 0.43 -1.46 0.00 0.00 175.22 174.65 1rz0 n SER 145 N 3.62 -4.33 0.00 6.13 7.64 0.37 -1.40 113.62 125.65 1rz0 n SER 145 Ca -0.18 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1rz0 n SER 145 Cb 0.57 -3.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.29 1rz0 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rz0 n GLY 146 N -1.58 0.78 3.23 0.23 0.00 -1.26 -5.02 105.19 101.58 1rz0 n GLY 146 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1rz0 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz0 s LYS 147 N -0.05 1.00 0.34 1.61 1.02 -0.49 -5.14 119.74 118.03 1rz0 s LYS 147 Ca 0.00 -1.23 -0.26 0.00 0.02 0.00 0.00 55.97 54.50 1rz0 s LYS 147 Cb 0.00 -0.86 -0.09 0.00 -0.52 0.00 0.00 37.83 36.36 1rz0 s LYS 147 CO 0.00 0.16 1.03 0.71 -0.92 0.00 0.00 175.35 176.33 1rz0 s TYR 148 N -2.19 3.49 0.25 3.18 2.02 -1.26 -1.14 117.35 121.69 1rz0 s TYR 148 Ca 0.09 1.71 -0.05 0.00 -0.37 0.00 0.00 57.07 58.44 1rz0 s TYR 148 Cb -0.05 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 1rz0 s TYR 148 CO 0.03 -0.34 0.33 -1.01 -1.57 0.00 0.00 175.55 172.98 1rz0 s HIS 149 N -1.50 0.88 0.20 2.71 3.76 -0.37 -4.94 115.29 116.03 1rz0 s HIS 149 Ca 0.52 -1.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.35 1rz0 s HIS 149 Cb -0.24 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.20 1rz0 s HIS 149 CO 0.30 -0.88 -0.11 -0.65 -0.85 0.00 0.00 174.74 172.56 1rz0 s GLN 150 N -3.87 1.27 0.37 1.40 -0.21 -1.26 -1.56 119.66 115.80 1rz0 s GLN 150 Ca 0.31 -1.57 -0.27 0.00 0.02 0.00 0.00 55.36 53.85 1rz0 s GLN 150 Cb 0.03 -0.91 -0.09 0.00 1.00 0.00 0.00 33.01 33.03 1rz0 s GLN 150 CO 0.13 0.11 1.20 -0.51 -2.12 0.00 0.00 175.29 174.10 1rz0 s LEU 151 N -3.28 4.29 0.32 2.90 1.43 -1.26 -4.98 118.68 118.10 1rz0 s LEU 151 Ca 0.22 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.46 1rz0 s LEU 151 Cb 0.01 -3.88 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 1rz0 s LEU 151 CO 0.05 -0.59 1.43 0.00 0.23 0.00 0.00 176.35 177.47 1rz0 s ALA 152 N -1.31 3.58 -1.99 4.21 0.00 -1.26 -5.12 121.76 119.87 1rz0 s ALA 152 Ca 0.54 1.41 0.16 0.00 0.00 0.00 0.00 51.96 54.07 1rz0 s ALA 152 Cb -0.33 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.36 1rz0 s ALA 152 CO 0.43 -0.84 1.00 1.04 0.00 0.00 0.00 175.76 177.39