#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 0.88 -0.38 -1.12 3.45 -2.05 -2.78 116.42 114.41 1rz0 h ASP 3 Ca 0.00 -0.35 0.01 0.00 0.43 0.00 0.00 57.03 57.12 1rz0 h ASP 3 Cb 0.00 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.51 1rz0 h ASP 3 CO 0.00 1.03 0.23 -0.09 -1.57 0.00 0.00 179.24 178.83 1rz0 h ARG 4 N 0.72 0.45 -0.56 3.56 2.43 -2.05 -0.33 114.38 118.60 1rz0 h ARG 4 Ca 0.12 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1rz0 h ARG 4 Cb 0.63 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1rz0 h ARG 4 CO 0.04 0.30 0.18 1.25 -1.51 0.00 0.00 179.97 180.23 1rz0 h LEU 5 N 0.46 0.80 0.02 3.80 5.85 -1.97 0.77 115.31 125.05 1rz0 h LEU 5 Ca 0.15 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1rz0 h LEU 5 Cb -0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1rz0 h LEU 5 CO -0.06 0.79 -0.07 0.15 -0.34 0.00 0.00 178.44 178.91 1rz0 h PHE 6 N 0.78 -0.18 -0.70 1.25 3.57 -1.28 -1.22 116.94 119.16 1rz0 h PHE 6 Ca 0.18 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1rz0 h PHE 6 Cb 0.27 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1rz0 h PHE 6 CO 0.02 -0.11 0.35 0.00 -2.23 0.00 0.00 178.31 176.33 1rz0 h ARG 7 N -0.14 0.99 -0.80 1.11 3.08 -0.80 -2.39 114.38 115.44 1rz0 h ARG 7 Ca 0.02 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1rz0 h ARG 7 Cb 0.16 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1rz0 h ARG 7 CO -0.06 0.77 0.49 -0.91 -1.07 0.00 0.00 179.97 179.20 1rz0 h ASN 8 N 0.97 0.79 0.00 7.04 2.35 -0.76 -1.35 115.58 124.61 1rz0 h ASN 8 Ca 0.24 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1rz0 h ASN 8 Cb 0.09 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1rz0 h ASN 8 CO -0.03 0.52 0.00 0.00 -1.65 0.00 0.00 177.43 176.27 1rz0 n ALA 9 N -2.34 1.59 0.00 -0.83 0.00 -0.47 -2.93 120.51 115.52 1rz0 n ALA 9 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1rz0 n ALA 9 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.01 0.00 0.00 -0.51 -3.84 105.19 101.46 1rz0 n GLY 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 -3.00 1.61 4.76 -1.15 -0.28 118.16 120.13 1rz0 n LYS 12 Ca 0.00 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 1rz0 n LYS 12 Cb 0.00 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 31.61 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 -3.01 2.94 0.49 2.13 5.36 -1.25 -4.94 117.98 119.69 1rz0 s PHE 13 Ca 0.12 -0.19 -0.23 0.00 -0.96 0.00 0.00 56.93 55.68 1rz0 s PHE 13 Cb 0.17 -3.75 -0.07 0.00 -0.34 0.00 0.00 43.02 39.03 1rz0 s PHE 13 CO 0.48 -1.14 1.22 0.00 -1.46 0.00 0.00 175.22 174.32 1rz0 s ALA 14 N 3.27 2.93 0.16 11.12 0.00 -1.26 -4.84 121.76 133.14 1rz0 s ALA 14 Ca 0.24 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 1rz0 s ALA 14 Cb -0.15 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1rz0 s ALA 14 CO 0.17 -0.87 0.23 0.95 0.00 0.00 0.00 175.76 176.24 1rz0 s THR 15 N -1.48 0.07 0.00 0.00 -4.23 -0.46 -4.99 115.64 104.56 1rz0 s THR 15 Ca 0.66 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1rz0 s THR 15 Cb -0.32 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1rz0 s THR 15 CO 0.38 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1rz0 n GLY 16 N -0.20 -2.51 2.81 3.99 0.00 -1.26 -0.41 105.19 107.62 1rz0 n GLY 16 Ca -0.06 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.90 -0.04 0.35 1.61 1.01 -1.21 -4.45 120.40 116.77 1rz0 s VAL 17 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1rz0 s VAL 17 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 36.38 36.24 1rz0 s VAL 17 CO 0.00 0.06 -0.06 0.42 0.00 0.00 0.00 175.10 175.53 1rz0 s THR 18 N 0.78 2.02 -0.12 3.92 -4.23 -0.33 -0.43 115.64 117.26 1rz0 s THR 18 Ca -0.06 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 1rz0 s THR 18 Cb -0.09 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1rz0 s THR 18 CO -0.02 -0.16 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.99 1rz0 s VAL 19 N -2.74 2.21 -0.14 2.29 1.01 0.39 -0.96 120.40 122.46 1rz0 s VAL 19 Ca 0.33 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1rz0 s VAL 19 Cb 0.05 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1rz0 s VAL 19 CO 0.16 0.55 0.52 -0.63 0.00 0.00 0.00 175.10 175.70 1rz0 s ILE 20 N 0.54 5.14 0.17 2.22 -1.09 -1.26 -0.54 121.20 126.38 1rz0 s ILE 20 Ca -0.13 1.02 0.11 0.00 -2.23 0.00 0.00 60.65 59.42 1rz0 s ILE 20 Cb -0.17 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1rz0 s ILE 20 CO 0.04 0.27 -0.24 0.42 -1.23 0.00 0.00 174.94 174.20 1rz0 s THR 21 N 0.97 2.39 0.29 2.92 -4.23 -0.21 -4.12 115.64 113.65 1rz0 s THR 21 Ca 0.27 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 1rz0 s THR 21 Cb -0.15 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.57 1rz0 s THR 21 CO 0.11 -0.05 0.55 0.28 -0.54 0.00 0.00 174.62 174.97 1rz0 s THR 22 N -1.48 0.00 -0.04 3.99 -1.32 -0.05 -1.04 115.64 115.71 1rz0 s THR 22 Ca 0.19 -1.33 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1rz0 s THR 22 Cb -0.09 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1rz0 s THR 22 CO 0.09 0.00 -0.11 -0.70 -2.21 0.00 0.00 174.62 171.69 1rz0 s GLU 23 N -3.62 1.28 -0.26 7.08 2.12 -1.26 -0.74 118.70 123.29 1rz0 s GLU 23 Ca 0.21 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1rz0 s GLU 23 Cb -0.02 -1.13 0.08 0.00 0.26 0.00 0.00 34.13 33.32 1rz0 s GLU 23 CO 0.11 0.09 0.08 -1.17 -0.54 0.00 0.00 175.26 173.83 1rz0 s LEU 24 N 0.38 1.34 -0.95 2.70 2.96 -0.29 -4.81 118.68 120.01 1rz0 s LEU 24 Ca -0.07 -1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 52.53 1rz0 s LEU 24 Cb -0.12 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.96 1rz0 s LEU 24 CO 0.02 -0.38 0.71 0.59 -1.32 0.00 0.00 176.35 175.97 1rz0 n ASN 25 N 5.04 -5.78 0.00 3.68 3.02 -1.26 -2.74 115.26 117.23 1rz0 n ASN 25 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1rz0 n ASN 25 Cb 0.44 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 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 -1.71 1.86 3.72 7.41 0.00 -1.26 -5.00 105.19 110.22 1rz0 n GLY 26 Ca -0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.16 3.25 -0.12 4.61 0.00 -1.11 -5.04 121.76 123.20 1rz0 s ALA 27 Ca 0.00 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1rz0 s ALA 27 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1rz0 s ALA 27 CO 0.00 -0.21 0.51 0.08 0.00 0.00 0.00 175.76 176.15 1rz0 s VAL 28 N 0.59 5.16 -0.02 0.00 1.01 -1.26 -1.14 120.40 124.74 1rz0 s VAL 28 Ca 0.51 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.60 1rz0 s VAL 28 Cb -0.24 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1rz0 s VAL 28 CO 0.30 0.30 -0.26 -1.00 0.00 0.00 0.00 175.10 174.44 1rz0 s HIS 29 N 0.76 2.34 0.00 5.22 3.76 0.08 -5.00 115.29 122.46 1rz0 s HIS 29 Ca 0.27 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1rz0 s HIS 29 Cb -0.15 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1rz0 s HIS 29 CO 0.11 -0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1rz0 n GLY 30 N 2.45 4.30 3.39 -2.22 0.00 -1.26 -0.87 105.19 110.99 1rz0 n GLY 30 Ca -0.16 -1.96 -0.33 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 -1.33 3.06 -0.08 2.61 2.01 -0.01 -4.94 115.64 116.96 1rz0 s THR 32 Ca 0.00 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1rz0 s THR 32 Cb 0.00 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1rz0 s THR 32 CO 0.00 0.54 0.20 0.00 -0.69 0.00 0.00 174.62 174.66 1rz0 s ALA 33 N 0.17 -0.46 -0.76 7.40 0.00 -0.13 -4.88 121.76 123.10 1rz0 s ALA 33 Ca -0.07 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.68 1rz0 s ALA 33 Cb -0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1rz0 s ALA 33 CO 0.05 -0.13 0.58 0.27 0.00 0.00 0.00 175.76 176.53 1rz0 n ASN 34 N 3.45 0.83 -4.06 0.00 6.94 -1.26 -1.18 115.26 119.98 1rz0 n ASN 34 Ca -0.18 -0.91 -0.42 0.00 -0.02 0.00 0.00 54.58 53.05 1rz0 n ASN 34 Cb 0.56 0.83 -0.01 0.00 -2.36 0.00 0.00 39.78 38.81 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 -0.94 4.37 -2.31 -2.53 0.00 -1.26 -4.92 120.51 112.91 1rz0 n ALA 35 Ca 0.03 -3.74 -0.18 0.00 0.00 0.00 0.00 53.44 49.54 1rz0 n ALA 35 Cb 0.21 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.00 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 4.31 1.59 0.12 0.00 5.36 -1.26 -1.74 117.98 126.36 1rz0 s PHE 36 Ca 0.52 -1.48 -0.29 0.00 -0.96 0.00 0.00 56.93 54.72 1rz0 s PHE 36 Cb 0.10 -0.78 -0.06 0.00 -0.34 0.00 0.00 43.02 41.94 1rz0 s PHE 36 CO 0.01 -0.66 0.92 0.45 -1.46 0.00 0.00 175.22 174.49 1rz0 s SER 38 N -3.35 7.47 -0.04 6.13 0.15 -1.26 -5.02 113.70 117.78 1rz0 s SER 38 Ca 0.37 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.75 1rz0 s SER 38 Cb 0.04 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1rz0 s SER 38 CO 0.20 -0.02 -0.07 0.52 1.20 0.00 0.00 173.24 175.07 1rz0 n VAL 39 N 2.60 0.47 -3.82 4.45 0.31 -0.23 -4.91 118.33 117.20 1rz0 n VAL 39 Ca 0.01 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1rz0 n VAL 39 Cb 0.49 -1.61 -0.11 0.00 -0.91 0.00 0.00 33.84 31.71 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 -5.59 -0.13 -0.14 4.52 0.15 -0.83 -4.94 113.70 106.74 1rz0 s SER 40 Ca -0.08 0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 1rz0 s SER 40 Cb 0.03 0.34 -0.24 0.00 -1.71 0.00 0.00 66.02 64.44 1rz0 s SER 40 CO 0.10 -0.22 0.37 0.25 1.20 0.00 0.00 173.24 174.93 1rz0 h LEU 41 N 5.05 0.28 -7.40 3.45 5.85 -1.95 -0.38 115.31 120.21 1rz0 h LEU 41 Ca -0.28 -0.79 -0.60 0.00 0.84 0.00 0.00 57.88 57.06 1rz0 h LEU 41 Cb 1.19 -0.09 -0.40 0.00 0.37 0.00 0.00 40.66 41.74 1rz0 h LEU 41 CO 0.39 1.68 -0.76 0.20 -0.34 0.00 0.00 178.44 179.62 1rz0 s ASN 42 N -6.98 4.04 0.91 1.25 0.01 -1.26 -2.48 114.94 110.42 1rz0 s ASN 42 Ca -0.24 -1.56 -0.13 0.00 -0.71 0.00 0.00 52.86 50.22 1rz0 s ASN 42 Cb 0.06 -1.08 0.14 0.00 0.41 0.00 0.00 41.25 40.78 1rz0 s ASN 42 CO 0.71 -0.35 1.19 -2.16 -1.51 0.00 0.00 177.10 174.97 1rz0 s PRO 43 N 1.43 1.16 -0.65 -0.60 0.04 -1.26 -5.06 135.00 130.07 1rz0 s PRO 43 Ca 0.05 0.07 -0.27 0.00 0.04 0.00 0.00 61.00 60.89 1rz0 s PRO 43 Cb -0.18 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1rz0 s PRO 43 CO -0.15 -2.14 1.52 0.15 0.04 0.00 0.00 177.00 176.42 1rz0 s LYS 44 N -5.51 3.02 0.12 4.56 1.02 -1.04 -4.49 119.74 117.43 1rz0 s LYS 44 Ca 0.66 0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.98 1rz0 s LYS 44 Cb -0.11 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.92 1rz0 s LYS 44 CO 0.52 -2.30 -0.20 -0.51 -0.92 0.00 0.00 175.35 171.95 1rz0 s LEU 45 N 7.00 2.35 0.13 3.17 1.43 -0.15 -1.18 118.68 131.42 1rz0 s LEU 45 Ca 0.51 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1rz0 s LEU 45 Cb -0.11 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1rz0 s LEU 45 CO 0.20 0.02 0.06 0.54 0.23 0.00 0.00 176.35 177.40 1rz0 s VAL 46 N -1.49 0.11 -0.07 -1.59 0.11 0.41 -1.07 120.40 116.81 1rz0 s VAL 46 Ca 0.09 -1.88 -0.09 0.00 -2.93 0.00 0.00 61.98 57.18 1rz0 s VAL 46 Cb -0.08 -2.01 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1rz0 s VAL 46 CO 0.05 -0.48 0.23 -0.22 -3.33 0.00 0.00 175.10 171.35 1rz0 s LEU 47 N -3.04 1.14 0.07 2.54 0.20 -1.26 -0.05 118.68 118.28 1rz0 s LEU 47 Ca 0.23 0.34 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1rz0 s LEU 47 Cb 0.07 0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 46.64 1rz0 s LEU 47 CO 0.01 -0.16 -0.15 0.54 -0.29 0.00 0.00 176.35 176.30 1rz0 s VAL 48 N -0.25 1.18 -0.16 1.68 0.11 -0.86 -4.36 120.40 117.75 1rz0 s VAL 48 Ca -0.04 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 1rz0 s VAL 48 Cb -0.03 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1rz0 s VAL 48 CO 0.01 -0.17 -0.20 -0.55 -3.33 0.00 0.00 175.10 170.85 1rz0 s SER 49 N -1.68 3.17 -0.09 3.54 0.15 -0.71 -0.52 113.70 117.56 1rz0 s SER 49 Ca -0.01 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1rz0 s SER 49 Cb -0.10 -1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1rz0 s SER 49 CO 0.02 0.03 -0.24 -0.63 1.20 0.00 0.00 173.24 173.63 1rz0 s ILE 50 N 1.09 2.05 0.56 6.45 1.01 -0.46 -4.78 121.20 127.12 1rz0 s ILE 50 Ca -0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.41 1rz0 s ILE 50 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1rz0 s ILE 50 CO -0.08 0.56 1.34 -0.83 0.00 0.00 0.00 174.94 175.94 1rz0 s GLY 51 N 0.21 2.88 0.57 6.18 0.00 -1.26 -0.93 107.32 114.96 1rz0 s GLY 51 Ca -0.15 1.31 0.32 0.00 0.00 0.00 0.00 44.72 46.20 1rz0 s GLY 51 CO 0.08 1.81 2.14 1.05 0.00 0.00 0.00 173.10 178.18 1rz0 h GLU 52 N 1.35 0.00 -0.01 2.90 4.11 -1.54 -1.79 114.58 119.60 1rz0 h GLU 52 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1rz0 h GLU 52 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1rz0 h GLU 52 CO 0.57 0.06 -0.35 1.63 0.07 0.00 0.00 179.01 181.00 1rz0 n LYS 53 N -3.44 0.75 -2.50 1.06 4.01 -1.26 -4.92 118.16 111.86 1rz0 n LYS 53 Ca -0.02 -0.48 -0.42 0.00 -0.51 0.00 0.00 58.31 56.88 1rz0 n LYS 53 Cb 0.20 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.20 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 -2.58 3.39 0.00 7.82 0.00 -0.67 -5.01 121.76 124.70 1rz0 s ALA 54 Ca 0.21 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1rz0 s ALA 54 Cb 0.19 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1rz0 s ALA 54 CO 0.56 -0.53 0.00 1.63 0.00 0.00 0.00 175.76 177.42 1rz0 n LYS 55 N 4.46 0.00 0.00 0.00 5.02 -1.26 -4.26 118.16 122.12 1rz0 n LYS 55 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1rz0 n LYS 55 Cb 0.47 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 1.48 0.00 0.10 -0.35 0.00 -1.26 -3.06 117.00 113.91 1rz0 n LEU 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1rz0 n LEU 57 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 43.42 43.73 1rz0 n LEU 57 CO 0.00 0.00 0.78 1.05 0.00 0.00 0.00 177.39 179.22 1rz0 h GLU 58 N 0.00 0.26 -0.33 1.96 9.09 -1.96 -1.75 114.58 121.85 1rz0 h GLU 58 Ca 0.00 -0.08 0.04 0.00 0.05 0.00 0.00 59.36 59.37 1rz0 h GLU 58 Cb 0.00 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.04 1rz0 h GLU 58 CO 0.00 0.50 0.09 0.87 0.05 0.00 0.00 179.01 180.52 1rz0 h LYS 59 N 0.23 0.22 -0.16 1.06 1.79 -1.89 -1.24 116.57 116.58 1rz0 h LYS 59 Ca 0.04 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 1rz0 h LYS 59 Cb 0.58 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1rz0 h LYS 59 CO 0.04 0.15 -0.60 0.82 -1.08 0.00 0.00 179.45 178.77 1rz0 h ILE 60 N 0.23 1.33 -0.85 1.86 2.04 -1.80 -1.38 117.51 118.94 1rz0 h ILE 60 Ca 0.15 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.17 1rz0 h ILE 60 Cb 0.14 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1rz0 h ILE 60 CO -0.18 0.58 0.56 1.56 0.00 0.00 0.00 178.15 180.67 1rz0 h GLN 61 N 0.39 0.99 0.05 2.37 4.20 -1.07 0.40 115.11 122.45 1rz0 h GLN 61 Ca -0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1rz0 h GLN 61 Cb 1.16 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.72 1rz0 h GLN 61 CO 0.11 0.65 -0.31 1.96 -0.67 0.00 0.00 178.83 180.57 1rz0 h GLN 62 N 1.02 0.12 0.00 1.46 4.20 -1.11 -3.36 115.11 117.44 1rz0 h GLN 62 Ca 0.35 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1rz0 h GLN 62 Cb 0.10 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1rz0 h GLN 62 CO -0.11 1.09 -0.42 0.66 -0.67 0.00 0.00 178.83 179.38 1rz0 h SER 63 N -0.75 0.00 -2.29 1.46 4.64 -1.20 -3.47 113.55 111.94 1rz0 h SER 63 Ca -0.05 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.93 1rz0 h SER 63 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 1rz0 h SER 63 CO 0.06 0.42 -0.36 0.29 -0.87 0.00 0.00 176.83 176.37 1rz0 n LYS 64 N -3.46 -1.65 -3.80 4.77 4.76 0.14 -4.95 118.16 113.96 1rz0 n LYS 64 Ca 0.00 0.88 -0.09 0.00 -2.87 0.00 0.00 58.31 56.23 1rz0 n LYS 64 Cb 0.57 -5.35 -0.07 0.00 -1.84 0.00 0.00 35.03 28.34 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 -4.18 0.88 -0.05 1.97 -2.85 -1.26 -0.78 119.74 113.47 1rz0 s LYS 65 Ca 0.00 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.97 53.81 1rz0 s LYS 65 Cb 0.00 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 36.23 1rz0 s LYS 65 CO 0.00 -0.29 0.81 1.52 0.10 0.00 0.00 175.35 177.48 1rz0 s TYR 66 N -3.73 -0.49 0.04 1.78 -0.85 -0.84 -4.78 117.35 108.48 1rz0 s TYR 66 Ca 0.04 0.69 0.08 0.00 -0.52 0.00 0.00 57.07 57.35 1rz0 s TYR 66 Cb 0.04 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1rz0 s TYR 66 CO -0.11 -0.55 -0.22 0.00 -1.52 0.00 0.00 175.55 173.16 1rz0 s ALA 67 N -1.88 2.42 -0.26 9.51 0.00 -0.21 -0.27 121.76 131.08 1rz0 s ALA 67 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 1rz0 s ALA 67 Cb -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1rz0 s ALA 67 CO 0.01 0.55 0.08 0.08 0.00 0.00 0.00 175.76 176.48 1rz0 s VAL 68 N -0.85 4.34 -0.44 0.00 1.01 0.77 -1.04 120.40 124.20 1rz0 s VAL 68 Ca 0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1rz0 s VAL 68 Cb -0.10 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1rz0 s VAL 68 CO 0.03 0.29 0.30 0.20 0.00 0.00 0.00 175.10 175.93 1rz0 s ASN 69 N 1.61 5.68 0.01 3.32 0.01 0.30 -1.22 114.94 124.64 1rz0 s ASN 69 Ca 0.06 -1.67 -0.30 0.00 -0.71 0.00 0.00 52.86 50.24 1rz0 s ASN 69 Cb -0.15 -2.00 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 1rz0 s ASN 69 CO 0.04 -0.61 1.23 -0.63 -1.51 0.00 0.00 177.10 175.62 1rz0 s ILE 70 N 1.41 4.07 0.12 0.60 1.01 -0.25 -0.46 121.20 127.70 1rz0 s ILE 70 Ca 0.04 1.45 -0.24 0.00 0.00 0.00 0.00 60.65 61.90 1rz0 s ILE 70 Cb -0.24 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 1rz0 s ILE 70 CO 0.01 0.05 0.73 -0.76 0.00 0.00 0.00 174.94 174.97 1rz0 s LEU 71 N 1.71 4.55 0.72 2.97 1.43 0.43 -0.45 118.68 130.05 1rz0 s LEU 71 Ca 0.58 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 1rz0 s LEU 71 Cb -0.28 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1rz0 s LEU 71 CO 0.26 0.19 1.10 -0.94 0.23 0.00 0.00 176.35 177.18 1rz0 s SER 72 N -0.93 5.29 0.61 2.29 1.04 -1.26 -2.12 113.70 118.63 1rz0 s SER 72 Ca 0.35 1.15 0.27 0.00 0.48 0.00 0.00 55.95 58.20 1rz0 s SER 72 Cb -0.22 -1.94 1.37 0.00 0.10 0.00 0.00 66.02 65.34 1rz0 s SER 72 CO 0.24 -1.44 1.79 -0.61 0.98 0.00 0.00 173.24 174.19 1rz0 h GLN 73 N -0.73 0.00 -0.16 4.02 4.15 -0.70 -1.62 115.11 120.07 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 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1rz0 h GLN 73 CO 0.63 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.28 1rz0 n ASP 74 N -3.39 1.80 -0.86 -0.69 8.00 -1.26 -4.43 116.55 115.71 1rz0 n ASP 74 Ca 0.07 -1.71 0.01 0.00 0.71 0.00 0.00 54.79 53.87 1rz0 n ASP 74 Cb 0.72 -0.10 0.20 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.41 1.71 -0.13 -1.24 6.02 -0.61 -4.69 117.38 118.85 1rz0 n GLN 75 Ca 0.17 -3.24 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 1rz0 n GLN 75 Cb 0.36 -1.71 0.27 0.00 1.02 0.00 0.00 30.24 30.17 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 0.99 0.82 -0.59 -1.09 3.64 -1.77 -2.25 116.57 116.32 1rz0 h LYS 76 Ca 0.11 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1rz0 h LYS 76 Cb 1.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1rz0 h LYS 76 CO 0.19 0.62 0.00 0.28 -2.27 0.00 0.00 179.45 178.27 1rz0 h VAL 77 N 0.82 1.26 -0.75 2.00 2.07 -1.97 -2.30 116.25 117.39 1rz0 h VAL 77 Ca 0.21 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1rz0 h VAL 77 Cb 0.05 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1rz0 h VAL 77 CO -0.03 0.41 0.40 -0.07 0.02 0.00 0.00 177.57 178.29 1rz0 h LEU 78 N 0.94 0.93 -0.71 2.57 3.38 -1.80 0.66 115.31 121.28 1rz0 h LEU 78 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rz0 h LEU 78 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rz0 h LEU 78 CO 0.03 0.76 0.00 -0.24 0.09 0.00 0.00 178.44 179.08 1rz0 n SER 79 N -4.35 0.01 0.00 -0.43 2.88 -0.87 -1.19 113.62 109.67 1rz0 n SER 79 Ca 0.07 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1rz0 n SER 79 Cb 0.11 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.20 0.00 -0.06 -3.46 5.15 0.22 -1.80 115.26 115.52 1rz0 n ASN 81 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1rz0 n ASN 81 Cb 0.00 0.00 0.66 0.00 -0.53 0.00 0.00 39.78 39.91 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 0.01 0.34 1.20 3.72 -0.33 -2.41 117.46 119.99 1rz0 n PHE 82 Ca 0.00 -0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1rz0 n PHE 82 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.74 2.42 -1.94 4.37 0.00 -0.75 -0.83 120.51 123.05 1rz0 n ALA 83 Ca 0.17 -0.98 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 1rz0 n ALA 83 Cb 0.11 -0.87 -0.01 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 1.51 0.29 0.45 0.00 0.00 -1.01 -4.94 105.19 101.48 1rz0 n GLY 84 Ca 0.19 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1rz0 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rz0 n GLN 85 N -2.15 1.20 -4.19 1.61 6.02 -1.26 -4.93 117.38 113.68 1rz0 n GLN 85 Ca -0.11 -0.90 -0.30 0.00 -0.01 0.00 0.00 57.00 55.68 1rz0 n GLN 85 Cb 0.51 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.20 1rz0 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rz0 s LEU 86 N -2.42 3.19 0.03 1.08 1.43 -1.26 -4.98 118.68 115.75 1rz0 s LEU 86 Ca 0.23 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 1rz0 s LEU 86 Cb 0.19 -1.96 -0.18 0.00 0.03 0.00 0.00 46.19 44.27 1rz0 s LEU 86 CO 0.52 0.17 1.22 -0.33 0.23 0.00 0.00 176.35 178.15 1rz0 h GLU 87 N 3.51 0.45 -5.16 1.70 4.39 -2.00 -3.43 114.58 114.04 1rz0 h GLU 87 Ca -0.48 -0.36 -0.66 0.00 0.34 0.00 0.00 59.36 58.20 1rz0 h GLU 87 Cb 1.17 0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 29.62 1rz0 h GLU 87 CO 0.55 0.99 -0.74 0.21 -1.16 0.00 0.00 179.01 178.86 1rz0 s LYS 88 N -3.68 3.39 0.06 2.33 2.20 -1.26 -5.08 119.74 117.71 1rz0 s LYS 88 Ca -0.13 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.52 1rz0 s LYS 88 Cb 0.05 -2.83 -0.08 0.00 -1.51 0.00 0.00 37.83 33.46 1rz0 s LYS 88 CO 0.80 0.01 1.55 -2.14 -0.36 0.00 0.00 175.35 175.21 1rz0 s PRO 89 N 0.90 4.24 0.64 4.03 0.02 -1.26 -4.96 135.00 138.60 1rz0 s PRO 89 Ca -0.02 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 1rz0 s PRO 89 Cb -0.15 -3.51 -0.01 0.00 0.02 0.00 0.00 34.50 30.86 1rz0 s PRO 89 CO 0.00 -0.65 1.20 0.14 -0.33 0.00 0.00 177.00 177.37 1rz0 s VAL 90 N 2.25 2.58 -0.53 3.83 -7.23 -1.26 -4.92 120.40 115.11 1rz0 s VAL 90 Ca 0.70 0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.91 1rz0 s VAL 90 Cb -0.38 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.57 1rz0 s VAL 90 CO 0.30 -0.11 1.17 -0.62 -0.31 0.00 0.00 175.10 175.53 1rz0 s ASP 91 N -1.82 6.53 -0.06 4.85 2.15 -1.26 -4.99 116.67 122.07 1rz0 s ASP 91 Ca 0.76 0.27 -0.15 0.00 0.43 0.00 0.00 52.55 53.86 1rz0 s ASP 91 Cb -0.29 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.72 1rz0 s ASP 91 CO 0.38 -1.38 0.39 -0.69 -0.17 0.00 0.00 175.17 173.69 1rz0 s VAL 92 N 4.73 5.13 -0.49 1.11 1.01 -1.26 -5.03 120.40 125.60 1rz0 s VAL 92 Ca 0.45 0.77 -0.26 0.00 0.00 0.00 0.00 61.98 62.95 1rz0 s VAL 92 Cb -0.07 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1rz0 s VAL 92 CO 0.28 0.50 0.97 -1.10 0.00 0.00 0.00 175.10 175.76 1rz0 s GLN 93 N -0.48 3.52 -0.04 2.72 -1.52 -1.26 -5.03 119.66 117.57 1rz0 s GLN 93 Ca 0.22 0.14 -0.02 0.00 -1.95 0.00 0.00 55.36 53.76 1rz0 s GLN 93 Cb -0.15 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.64 1rz0 s GLN 93 CO 0.11 -1.32 0.09 -0.06 -0.25 0.00 0.00 175.29 173.85 1rz0 s PHE 94 N 3.97 3.35 0.00 0.91 0.40 -1.26 -1.54 117.98 123.80 1rz0 s PHE 94 Ca 0.38 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1rz0 s PHE 94 Cb -0.10 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.64 1rz0 s PHE 94 CO 0.26 0.58 0.00 -0.85 0.70 0.00 0.00 175.22 175.91 1rz0 n GLU 95 N 1.47 3.47 -4.18 0.44 0.28 0.20 -4.87 120.64 117.45 1rz0 n GLU 95 Ca -0.15 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.69 1rz0 n GLU 95 Cb 0.53 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.26 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 1.01 0.49 -0.21 3.44 2.12 -1.26 -1.05 118.70 123.23 1rz0 s GLU 96 Ca 0.00 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.96 1rz0 s GLU 96 Cb 0.00 -0.44 0.09 0.00 0.26 0.00 0.00 34.13 34.04 1rz0 s GLU 96 CO 0.00 0.12 0.46 -1.17 -0.54 0.00 0.00 175.26 174.13 1rz0 s LEU 97 N -0.34 -0.69 -1.43 2.70 2.96 0.01 -4.89 118.68 117.01 1rz0 s LEU 97 Ca 0.01 1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.96 1rz0 s LEU 97 Cb -0.03 1.53 0.03 0.00 0.50 0.00 0.00 46.19 48.21 1rz0 s LEU 97 CO -0.00 -0.23 0.43 0.61 -1.32 0.00 0.00 176.35 175.85 1rz0 n GLY 98 N 5.27 -0.51 2.27 7.98 0.00 -1.26 -1.35 105.19 117.59 1rz0 n GLY 98 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.27 0.85 3.63 -0.02 0.00 -1.26 -4.96 105.19 102.16 1rz0 n GLY 99 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 3.27 0.12 0.99 1.43 -0.46 -4.97 118.68 119.06 1rz0 s LEU 100 Ca 0.00 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1rz0 s LEU 100 Cb 0.00 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.17 1rz0 s LEU 100 CO 0.00 0.22 1.34 -2.16 0.23 0.00 0.00 176.35 175.97 1rz0 s PRO 101 N -1.96 4.35 0.20 1.29 0.04 -1.26 -0.81 135.00 136.86 1rz0 s PRO 101 Ca 0.21 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.32 1rz0 s PRO 101 Cb -0.11 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1rz0 s PRO 101 CO 0.13 -0.37 -0.08 0.14 0.04 0.00 0.00 177.00 176.87 1rz0 s VAL 102 N 0.89 1.31 -0.20 -0.36 -7.23 -0.22 -4.66 120.40 109.94 1rz0 s VAL 102 Ca 0.62 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 1rz0 s VAL 102 Cb -0.35 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1rz0 s VAL 102 CO 0.32 -0.54 0.42 -0.63 -0.31 0.00 0.00 175.10 174.35 1rz0 s ILE 103 N -3.24 5.19 0.34 -0.62 1.01 -1.26 -0.63 121.20 121.98 1rz0 s ILE 103 Ca 0.23 0.74 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 1rz0 s ILE 103 Cb 0.03 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1rz0 s ILE 103 CO 0.06 0.24 1.43 1.17 0.00 0.00 0.00 174.94 177.84 1rz0 n LYS 104 N 4.51 2.43 -1.08 2.79 4.81 -0.59 -2.40 118.16 128.63 1rz0 n LYS 104 Ca -0.08 0.86 -0.03 0.00 -0.87 0.00 0.00 58.31 58.19 1rz0 n LYS 104 Cb 0.51 -2.54 -0.01 0.00 0.02 0.00 0.00 35.03 33.01 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 1.01 -4.46 -4.72 3.14 8.00 -1.26 -4.99 116.55 113.28 1rz0 n ASP 105 Ca 0.05 0.07 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 1rz0 n ASP 105 Cb 0.37 -2.21 0.10 0.00 -0.02 0.00 0.00 41.12 39.35 1rz0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 s ALA 106 N -1.74 2.10 0.23 2.24 0.00 -1.01 -4.72 121.76 118.87 1rz0 s ALA 106 Ca 0.00 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 1rz0 s ALA 106 Cb 0.00 -3.47 0.30 0.00 0.00 0.00 0.00 23.12 19.94 1rz0 s ALA 106 CO 0.00 -1.91 1.83 1.25 0.00 0.00 0.00 175.76 176.93 1rz0 h LEU 107 N -0.33 0.69 -7.38 0.00 5.85 -1.02 -3.44 115.31 109.68 1rz0 h LEU 107 Ca -0.48 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 1rz0 h LEU 107 Cb 1.30 -0.11 -0.19 0.00 0.37 0.00 0.00 40.66 42.02 1rz0 h LEU 107 CO 0.49 0.43 -0.14 0.00 -0.34 0.00 0.00 178.44 178.89 1rz0 s ALA 108 N -6.07 -1.04 -0.09 1.25 0.00 -1.10 -1.58 121.76 113.14 1rz0 s ALA 108 Ca -0.13 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1rz0 s ALA 108 Cb 0.17 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1rz0 s ALA 108 CO 0.77 -0.32 -0.16 -0.65 0.00 0.00 0.00 175.76 175.40 1rz0 s GLN 109 N -1.54 2.17 -0.16 0.00 -0.21 0.41 -1.09 119.66 119.25 1rz0 s GLN 109 Ca -0.11 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.69 1rz0 s GLN 109 Cb -0.03 -1.76 0.05 0.00 1.00 0.00 0.00 33.01 32.27 1rz0 s GLN 109 CO 0.04 0.04 -0.02 0.42 -2.12 0.00 0.00 175.29 173.65 1rz0 s ILE 110 N 0.68 0.82 -0.11 1.08 1.01 -0.36 -1.00 121.20 123.32 1rz0 s ILE 110 Ca -0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1rz0 s ILE 110 Cb -0.16 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1rz0 s ILE 110 CO 0.04 0.04 0.22 -0.44 0.00 0.00 0.00 174.94 174.79 1rz0 s SER 111 N 1.75 6.46 0.04 3.58 0.01 -0.25 -0.16 113.70 125.13 1rz0 s SER 111 Ca 0.01 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1rz0 s SER 111 Cb -0.15 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1rz0 s SER 111 CO -0.07 0.32 -0.08 0.00 0.41 0.00 0.00 173.24 173.82 1rz0 s GLN 113 N -1.54 3.49 0.08 0.00 -1.52 0.06 -1.99 119.66 118.24 1rz0 s GLN 113 Ca -0.10 -0.50 -0.31 0.00 -1.95 0.00 0.00 55.36 52.51 1rz0 s GLN 113 Cb -0.10 -2.88 -0.08 0.00 -0.22 0.00 0.00 33.01 29.74 1rz0 s GLN 113 CO 0.00 0.36 1.49 0.08 -0.25 0.00 0.00 175.29 176.97 1rz0 s VAL 114 N 0.06 3.25 -0.23 1.09 1.01 0.04 -0.56 120.40 125.06 1rz0 s VAL 114 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1rz0 s VAL 114 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1rz0 s VAL 114 CO 0.03 0.03 0.21 1.33 0.00 0.00 0.00 175.10 176.69 1rz0 n VAL 115 N 4.37 0.00 -3.55 2.92 0.24 -0.28 -4.90 118.33 117.12 1rz0 n VAL 115 Ca 0.13 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 1rz0 n VAL 115 Cb 0.42 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.31 -0.63 -0.06 -1.34 3.04 -1.20 -5.01 114.94 108.43 1rz0 s ASN 116 Ca 0.02 0.82 0.02 0.00 0.04 0.00 0.00 52.86 53.76 1rz0 s ASN 116 Cb 0.03 0.70 0.01 0.00 -1.54 0.00 0.00 41.25 40.46 1rz0 s ASN 116 CO 0.16 -0.48 -0.10 -1.61 -3.04 0.00 0.00 177.10 172.03 1rz0 s GLU 117 N -0.81 1.46 -0.12 0.43 2.02 -1.26 -1.43 118.70 118.98 1rz0 s GLU 117 Ca -0.07 -0.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1rz0 s GLU 117 Cb -0.01 -1.24 0.04 0.00 0.10 0.00 0.00 34.13 33.02 1rz0 s GLU 117 CO 0.06 0.01 0.02 0.08 0.02 0.00 0.00 175.26 175.46 1rz0 s VAL 118 N 0.69 0.36 0.28 2.63 1.01 -0.49 -4.98 120.40 119.90 1rz0 s VAL 118 Ca -0.13 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1rz0 s VAL 118 Cb -0.15 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 1rz0 s VAL 118 CO 0.03 0.04 1.20 -1.58 0.00 0.00 0.00 175.10 174.79 1rz0 s GLN 119 N 1.96 4.50 -0.32 2.72 0.74 -1.26 -0.16 119.66 127.84 1rz0 s GLN 119 Ca 0.03 1.98 0.01 0.00 0.05 0.00 0.00 55.36 57.42 1rz0 s GLN 119 Cb -0.14 -3.15 0.14 0.00 1.10 0.00 0.00 33.01 30.96 1rz0 s GLN 119 CO -0.06 0.00 0.31 0.00 -0.55 0.00 0.00 175.29 174.99 1rz0 s ALA 120 N -0.93 -0.38 0.00 1.58 0.00 0.66 -4.92 121.76 117.77 1rz0 s ALA 120 Ca 0.48 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1rz0 s ALA 120 Cb -0.35 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1rz0 s ALA 120 CO 0.45 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1rz0 n GLY 121 N 4.96 3.01 0.34 0.00 0.00 -1.26 -1.94 105.19 110.30 1rz0 n GLY 121 Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.48 1.61 3.45 -1.98 -3.45 116.42 111.57 1rz0 h ASP 122 Ca 0.00 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.18 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 1.17 -0.10 4.55 3.76 -0.82 -1.28 115.29 118.52 1rz0 s HIS 123 Ca -0.02 -0.98 0.03 0.00 -0.15 0.00 0.00 55.06 53.94 1rz0 s HIS 123 Cb 0.05 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 33.06 1rz0 s HIS 123 CO 0.15 -0.18 -0.20 0.99 -0.85 0.00 0.00 174.74 174.65 1rz0 s THR 124 N -3.63 2.47 -0.21 1.30 2.01 -0.11 -0.24 115.64 117.23 1rz0 s THR 124 Ca 0.22 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1rz0 s THR 124 Cb 0.06 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1rz0 s THR 124 CO 0.03 0.55 0.63 -0.76 -0.69 0.00 0.00 174.62 174.38 1rz0 s LEU 125 N 0.15 4.13 -0.37 4.42 1.43 0.77 -1.35 118.68 127.86 1rz0 s LEU 125 Ca -0.11 0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 1rz0 s LEU 125 Cb -0.16 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.21 1rz0 s LEU 125 CO 0.06 -0.29 0.20 -0.36 0.23 0.00 0.00 176.35 176.19 1rz0 s PHE 126 N 2.01 3.25 -0.07 0.29 0.08 0.32 -1.40 117.98 122.47 1rz0 s PHE 126 Ca 0.28 -1.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.05 1rz0 s PHE 126 Cb -0.16 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 1rz0 s PHE 126 CO 0.10 -0.67 0.71 0.42 -0.10 0.00 0.00 175.22 175.69 1rz0 s ILE 127 N 1.53 5.04 -0.07 0.64 1.01 -0.52 -2.02 121.20 126.81 1rz0 s ILE 127 Ca 0.02 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.17 1rz0 s ILE 127 Cb -0.19 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1rz0 s ILE 127 CO 0.06 0.24 -0.17 -0.83 0.00 0.00 0.00 174.94 174.25 1rz0 s GLY 128 N 0.82 0.99 -0.06 6.18 0.00 0.93 -1.13 107.32 115.05 1rz0 s GLY 128 Ca 0.38 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 44.24 1rz0 s GLY 128 CO 0.18 -0.08 0.70 1.85 0.00 0.00 0.00 173.10 175.75 1rz0 s GLU 129 N 0.49 4.44 -0.11 2.90 2.12 0.28 -0.44 118.70 128.37 1rz0 s GLU 129 Ca -0.15 0.88 -0.26 0.00 0.36 0.00 0.00 54.97 55.80 1rz0 s GLU 129 Cb -0.16 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1rz0 s GLU 129 CO 0.05 0.09 0.86 0.08 -0.54 0.00 0.00 175.26 175.80 1rz0 s VAL 130 N 0.70 4.90 -0.18 3.70 1.01 -0.33 -0.76 120.40 129.44 1rz0 s VAL 130 Ca 0.37 1.73 0.16 0.00 0.00 0.00 0.00 61.98 64.24 1rz0 s VAL 130 Cb -0.18 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.80 1rz0 s VAL 130 CO 0.18 0.09 0.05 0.35 0.00 0.00 0.00 175.10 175.78 1rz0 n THR 131 N 4.36 1.25 -3.77 3.92 -2.24 0.16 -4.89 114.28 113.07 1rz0 n THR 131 Ca 0.04 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 1rz0 n THR 131 Cb 0.50 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 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 -5.28 -0.27 -0.00 3.42 1.01 -1.23 -5.02 116.67 109.30 1rz0 s ASP 132 Ca -0.10 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.61 1rz0 s ASP 132 Cb 0.05 0.52 -0.00 0.00 1.01 0.00 0.00 42.92 44.51 1rz0 s ASP 132 CO 0.74 -0.22 -0.04 -0.63 0.21 0.00 0.00 175.17 175.22 1rz0 s ILE 133 N -0.34 0.35 -0.03 0.77 1.01 -1.26 -1.09 121.20 120.61 1rz0 s ILE 133 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1rz0 s ILE 133 Cb -0.03 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1rz0 s ILE 133 CO 0.02 0.09 -0.07 -0.75 0.00 0.00 0.00 174.94 174.22 1rz0 s LYS 134 N -0.12 0.87 0.06 2.79 2.47 -0.17 -4.99 119.74 120.65 1rz0 s LYS 134 Ca 0.02 -0.24 0.06 0.00 -1.56 0.00 0.00 55.97 54.25 1rz0 s LYS 134 Cb -0.02 -0.82 -0.03 0.00 -1.46 0.00 0.00 37.83 35.50 1rz0 s LYS 134 CO -0.00 0.06 -0.17 0.42 0.16 0.00 0.00 175.35 175.82 1rz0 s ILE 135 N 0.34 1.34 0.30 5.43 1.01 -1.26 -0.44 121.20 127.92 1rz0 s ILE 135 Ca -0.05 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.37 1rz0 s ILE 135 Cb -0.09 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1rz0 s ILE 135 CO 0.00 -0.05 0.10 0.42 0.00 0.00 0.00 174.94 175.42 1rz0 s THR 136 N -1.05 0.67 -0.43 2.92 -4.23 -0.61 -5.00 115.64 107.91 1rz0 s THR 136 Ca 0.02 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1rz0 s THR 136 Cb -0.09 -2.61 0.60 0.00 1.34 0.00 0.00 72.50 71.74 1rz0 s THR 136 CO 0.02 0.00 1.81 -0.62 -0.54 0.00 0.00 174.62 175.29 1rz0 n GLU 137 N -0.60 2.22 -1.59 3.99 -0.58 -1.26 -4.86 120.64 117.96 1rz0 n GLU 137 Ca -0.01 -3.11 -0.31 0.00 -0.42 0.00 0.00 57.16 53.31 1rz0 n GLU 137 Cb 0.66 -2.11 0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 -3.35 2.83 0.36 3.49 -0.21 -1.26 -5.04 119.66 116.47 1rz0 s GLN 138 Ca 0.55 0.88 -0.23 0.00 0.02 0.00 0.00 55.36 56.58 1rz0 s GLN 138 Cb 0.46 -1.98 -0.10 0.00 1.00 0.00 0.00 33.01 32.39 1rz0 s GLN 138 CO 0.07 -1.16 0.91 -0.51 -2.12 0.00 0.00 175.29 172.48 1rz0 s ASP 139 N -3.84 7.11 0.18 5.90 1.01 -1.26 -4.98 116.67 120.80 1rz0 s ASP 139 Ca 0.58 1.70 -0.13 0.00 0.71 0.00 0.00 52.55 55.41 1rz0 s ASP 139 Cb -0.14 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 1rz0 s ASP 139 CO 0.55 -0.18 0.57 -2.16 0.21 0.00 0.00 175.17 174.15 1rz0 s PRO 140 N -2.56 3.95 0.17 8.23 0.04 -1.26 -0.15 135.00 143.42 1rz0 s PRO 140 Ca 0.54 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1rz0 s PRO 140 Cb -0.14 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.50 1rz0 s PRO 140 CO 0.19 0.41 1.23 -1.17 0.04 0.00 0.00 177.00 177.70 1rz0 s LEU 141 N -2.25 4.43 0.21 -3.56 2.96 -0.90 -4.12 118.68 115.45 1rz0 s LEU 141 Ca 0.42 2.24 0.10 0.00 -0.22 0.00 0.00 54.13 56.67 1rz0 s LEU 141 Cb -0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1rz0 s LEU 141 CO 0.20 -0.43 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.87 1rz0 s LEU 142 N 0.03 2.70 -0.05 -0.68 1.43 -0.50 -3.29 118.68 118.32 1rz0 s LEU 142 Ca 0.55 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1rz0 s LEU 142 Cb -0.33 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1rz0 s LEU 142 CO 0.36 0.09 -0.03 0.12 0.23 0.00 0.00 176.35 177.12 1rz0 s PHE 143 N -1.86 0.71 -0.22 0.29 5.36 0.45 -0.86 117.98 121.85 1rz0 s PHE 143 Ca 0.24 -0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.87 1rz0 s PHE 143 Cb -0.08 -0.68 0.06 0.00 -0.34 0.00 0.00 43.02 41.99 1rz0 s PHE 143 CO 0.13 -0.22 0.56 0.12 -1.46 0.00 0.00 175.22 174.35 1rz0 s PHE 144 N 1.12 -0.75 -1.59 10.12 5.36 -0.37 -1.35 117.98 130.52 1rz0 s PHE 144 Ca -0.08 1.63 -0.16 0.00 -0.96 0.00 0.00 56.93 57.36 1rz0 s PHE 144 Cb -0.14 0.35 0.11 0.00 -0.34 0.00 0.00 43.02 43.01 1rz0 s PHE 144 CO -0.01 -0.38 0.92 0.43 -1.46 0.00 0.00 175.22 174.72 1rz0 n SER 145 N 3.67 -4.37 0.00 6.13 7.64 0.62 -1.58 113.62 125.73 1rz0 n SER 145 Ca -0.18 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1rz0 n SER 145 Cb 0.57 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 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 -1.59 0.55 3.20 0.23 0.00 -1.26 -5.01 105.19 101.30 1rz0 n GLY 146 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.11 0.91 0.44 1.61 1.02 -0.61 -5.14 119.74 117.86 1rz0 s LYS 147 Ca 0.00 -1.18 -0.23 0.00 0.02 0.00 0.00 55.97 54.59 1rz0 s LYS 147 Cb 0.00 -0.70 -0.08 0.00 -0.52 0.00 0.00 37.83 36.53 1rz0 s LYS 147 CO 0.00 0.12 1.07 0.71 -0.92 0.00 0.00 175.35 176.34 1rz0 s TYR 148 N -2.25 3.10 0.25 3.18 2.02 -1.26 -1.24 117.35 121.16 1rz0 s TYR 148 Ca 0.06 1.60 -0.08 0.00 -0.37 0.00 0.00 57.07 58.28 1rz0 s TYR 148 Cb -0.04 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.34 1rz0 s TYR 148 CO 0.01 -0.88 0.40 -1.01 -1.57 0.00 0.00 175.55 172.49 1rz0 s HIS 149 N -1.72 0.66 0.19 2.71 3.76 -0.04 -4.91 115.29 115.94 1rz0 s HIS 149 Ca 0.62 -0.97 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1rz0 s HIS 149 Cb -0.22 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 1rz0 s HIS 149 CO 0.27 -0.93 -0.15 -0.65 -0.85 0.00 0.00 174.74 172.43 1rz0 s GLN 150 N -3.89 1.27 0.42 1.40 -0.21 -1.26 -1.41 119.66 115.97 1rz0 s GLN 150 Ca 0.28 -1.51 -0.26 0.00 0.02 0.00 0.00 55.36 53.89 1rz0 s GLN 150 Cb 0.01 -1.11 -0.08 0.00 1.00 0.00 0.00 33.01 32.83 1rz0 s GLN 150 CO 0.12 0.19 1.29 -0.51 -2.12 0.00 0.00 175.29 174.26 1rz0 s LEU 151 N -3.11 4.18 0.23 2.90 1.43 -1.26 -5.00 118.68 118.06 1rz0 s LEU 151 Ca 0.20 2.62 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 1rz0 s LEU 151 Cb -0.02 -3.95 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 1rz0 s LEU 151 CO 0.06 -0.88 1.46 0.00 0.23 0.00 0.00 176.35 177.22 1rz0 s ALA 152 N -1.29 3.65 -2.82 4.21 0.00 -1.26 -5.12 121.76 119.13 1rz0 s ALA 152 Ca 0.58 1.33 0.23 0.00 0.00 0.00 0.00 51.96 54.10 1rz0 s ALA 152 Cb -0.37 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.36 1rz0 s ALA 152 CO 0.47 -0.75 1.21 1.04 0.00 0.00 0.00 175.76 177.74