#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz1 h ASP 3 N 0.00 0.07 -0.29 1.67 3.45 -2.05 -3.23 116.42 116.04 1rz1 h ASP 3 Ca 0.00 -0.10 -0.16 0.00 0.43 0.00 0.00 57.03 57.21 1rz1 h ASP 3 Cb 0.00 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1rz1 h ASP 3 CO 0.00 1.08 -0.43 -0.09 -1.57 0.00 0.00 179.24 178.23 1rz1 h ARG 4 N 0.01 0.80 -0.58 3.56 2.43 -2.05 -1.51 114.38 117.04 1rz1 h ARG 4 Ca -0.16 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1rz1 h ARG 4 Cb 1.91 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.47 1rz1 h ARG 4 CO 0.11 1.10 0.37 1.25 -1.51 0.00 0.00 179.97 181.30 1rz1 h LEU 5 N 0.56 0.67 -0.41 3.80 5.85 -2.00 0.11 115.31 123.89 1rz1 h LEU 5 Ca 0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1rz1 h LEU 5 Cb 1.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1rz1 h LEU 5 CO 0.10 0.50 0.18 0.15 -0.34 0.00 0.00 178.44 179.03 1rz1 h PHE 6 N 0.78 0.61 -0.70 1.25 3.57 -1.56 -0.77 116.94 120.12 1rz1 h PHE 6 Ca 0.21 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1rz1 h PHE 6 Cb -0.07 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1rz1 h PHE 6 CO -0.03 0.52 0.15 0.00 -2.23 0.00 0.00 178.31 176.72 1rz1 h ARG 7 N 0.52 1.13 -0.58 1.11 3.08 -1.02 -2.72 114.38 115.90 1rz1 h ARG 7 Ca 0.14 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1rz1 h ARG 7 Cb 0.16 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1rz1 h ARG 7 CO -0.01 1.01 0.20 -0.91 -1.07 0.00 0.00 179.97 179.19 1rz1 h ASN 8 N 1.07 0.83 0.00 7.04 2.35 -0.65 -0.59 115.58 125.63 1rz1 h ASN 8 Ca 0.22 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1rz1 h ASN 8 Cb 0.40 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1rz1 h ASN 8 CO 0.01 0.80 0.00 0.00 -1.65 0.00 0.00 177.43 176.59 1rz1 n ALA 9 N -2.38 1.25 0.00 -0.83 0.00 -0.31 -2.77 120.51 115.47 1rz1 n ALA 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rz1 n ALA 9 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1rz1 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz1 n GLY 11 N 0.52 0.00 0.03 0.00 0.00 -0.23 -4.03 105.19 101.48 1rz1 n GLY 11 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1rz1 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rz1 n LYS 12 N 0.00 0.52 -3.22 1.61 4.76 -1.11 -0.53 118.16 120.18 1rz1 n LYS 12 Ca 0.00 -0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 54.95 1rz1 n LYS 12 Cb 0.00 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.62 1rz1 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz1 s PHE 13 N -2.51 3.10 0.47 2.13 5.36 -1.26 -4.94 117.98 120.33 1rz1 s PHE 13 Ca 0.30 -0.63 -0.23 0.00 -0.96 0.00 0.00 56.93 55.41 1rz1 s PHE 13 Cb 0.20 -3.42 -0.07 0.00 -0.34 0.00 0.00 43.02 39.40 1rz1 s PHE 13 CO 0.46 -0.96 1.21 0.00 -1.46 0.00 0.00 175.22 174.48 1rz1 s ALA 14 N 2.35 2.99 0.17 11.12 0.00 -1.26 -4.89 121.76 132.24 1rz1 s ALA 14 Ca 0.12 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 1rz1 s ALA 14 Cb -0.20 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1rz1 s ALA 14 CO 0.11 -0.80 0.12 0.95 0.00 0.00 0.00 175.76 176.14 1rz1 s THR 15 N -1.46 0.06 0.46 0.00 -4.23 -0.74 -5.00 115.64 104.73 1rz1 s THR 15 Ca 0.64 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1rz1 s THR 15 Cb -0.32 -2.21 0.11 0.00 1.34 0.00 0.00 72.50 71.42 1rz1 s THR 15 CO 0.39 -0.25 0.49 0.61 -0.54 0.00 0.00 174.62 175.32 1rz1 n GLY 16 N -0.19 -2.00 3.00 3.99 0.00 -1.26 -0.79 105.19 107.94 1rz1 n GLY 16 Ca -0.03 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 1rz1 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rz1 s VAL 17 N -1.98 0.75 0.25 1.61 1.01 -1.19 -4.59 120.40 116.26 1rz1 s VAL 17 Ca 0.30 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1rz1 s VAL 17 Cb -0.02 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1rz1 s VAL 17 CO 0.22 0.23 -0.09 0.42 0.00 0.00 0.00 175.10 175.89 1rz1 s THR 18 N 0.13 1.65 -0.14 3.92 -4.23 -0.53 -0.74 115.64 115.70 1rz1 s THR 18 Ca -0.02 -2.15 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1rz1 s THR 18 Cb -0.08 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1rz1 s THR 18 CO 0.00 -0.41 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.85 1rz1 s VAL 19 N -3.01 2.93 -0.14 2.29 1.01 0.45 -1.08 120.40 122.84 1rz1 s VAL 19 Ca 0.27 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1rz1 s VAL 19 Cb 0.02 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1rz1 s VAL 19 CO 0.10 0.52 0.61 -0.63 0.00 0.00 0.00 175.10 175.70 1rz1 s ILE 20 N 0.52 5.07 0.21 2.22 -1.09 -1.26 -0.55 121.20 126.33 1rz1 s ILE 20 Ca -0.09 1.20 0.11 0.00 -2.23 0.00 0.00 60.65 59.63 1rz1 s ILE 20 Cb -0.16 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 1rz1 s ILE 20 CO 0.04 0.21 -0.21 0.42 -1.23 0.00 0.00 174.94 174.17 1rz1 s THR 21 N 1.26 2.24 0.28 2.92 -4.23 0.10 -4.22 115.64 113.99 1rz1 s THR 21 Ca 0.30 -2.13 -0.14 0.00 -1.18 0.00 0.00 61.69 58.54 1rz1 s THR 21 Cb -0.16 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1rz1 s THR 21 CO 0.13 -0.27 0.58 0.28 -0.54 0.00 0.00 174.62 174.79 1rz1 s THR 22 N -2.07 0.00 -0.08 3.99 -1.32 -0.24 -0.35 115.64 115.58 1rz1 s THR 22 Ca 0.22 -1.27 0.02 0.00 -1.21 0.00 0.00 61.69 59.45 1rz1 s THR 22 Cb -0.06 -2.28 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1rz1 s THR 22 CO 0.10 0.00 -0.13 -0.70 -2.21 0.00 0.00 174.62 171.69 1rz1 s GLU 23 N -3.68 1.82 -0.19 7.08 2.12 -1.26 -1.16 118.70 123.44 1rz1 s GLU 23 Ca 0.20 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.09 1rz1 s GLU 23 Cb -0.03 -1.54 0.04 0.00 0.26 0.00 0.00 34.13 32.86 1rz1 s GLU 23 CO 0.10 -0.01 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.52 1rz1 s LEU 24 N 0.82 2.19 -1.32 2.70 2.96 -0.20 -4.79 118.68 121.04 1rz1 s LEU 24 Ca -0.11 -0.81 -0.15 0.00 -0.22 0.00 0.00 54.13 52.84 1rz1 s LEU 24 Cb -0.15 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1rz1 s LEU 24 CO 0.02 -0.12 0.29 0.59 -1.32 0.00 0.00 176.35 175.80 1rz1 n ASN 25 N 4.69 -1.22 0.00 3.68 3.02 -1.26 -1.00 115.26 123.18 1rz1 n ASN 25 Ca -0.15 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1rz1 n ASN 25 Cb 0.47 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1rz1 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rz1 n GLY 26 N -2.30 3.01 3.75 7.41 0.00 -1.26 -5.04 105.19 110.77 1rz1 n GLY 26 Ca -0.22 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1rz1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rz1 s ALA 27 N -0.76 3.39 -0.19 4.61 0.00 -0.17 -5.02 121.76 123.62 1rz1 s ALA 27 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1rz1 s ALA 27 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1rz1 s ALA 27 CO 0.00 -0.12 0.35 0.08 0.00 0.00 0.00 175.76 176.06 1rz1 s VAL 28 N -1.00 5.25 0.01 0.00 1.01 -1.26 -1.03 120.40 123.37 1rz1 s VAL 28 Ca 0.45 0.61 0.08 0.00 0.00 0.00 0.00 61.98 63.13 1rz1 s VAL 28 Cb -0.31 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1rz1 s VAL 28 CO 0.39 0.30 -0.26 -1.00 0.00 0.00 0.00 175.10 174.53 1rz1 s HIS 29 N 1.04 2.31 0.14 5.22 3.76 -0.30 -5.01 115.29 122.44 1rz1 s HIS 29 Ca 0.17 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 1rz1 s HIS 29 Cb -0.14 -1.44 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 1rz1 s HIS 29 CO 0.07 0.03 0.07 0.41 -0.85 0.00 0.00 174.74 174.47 1rz1 n GLY 30 N 2.16 3.73 3.41 -2.22 0.00 -1.26 -1.07 105.19 109.94 1rz1 n GLY 30 Ca -0.16 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1rz1 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rz1 s THR 32 N -2.24 3.07 -0.12 2.61 2.01 -0.49 -4.93 115.64 115.55 1rz1 s THR 32 Ca 0.10 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1rz1 s THR 32 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1rz1 s THR 32 CO 0.07 0.55 0.31 0.00 -0.69 0.00 0.00 174.62 174.86 1rz1 s ALA 33 N 0.00 -0.77 -0.16 7.40 0.00 -0.24 -4.87 121.76 123.11 1rz1 s ALA 33 Ca -0.04 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1rz1 s ALA 33 Cb -0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1rz1 s ALA 33 CO 0.04 -0.16 0.28 0.27 0.00 0.00 0.00 175.76 176.19 1rz1 n ASN 34 N 3.13 0.54 -4.30 0.00 6.94 -1.26 -1.45 115.26 118.86 1rz1 n ASN 34 Ca -0.15 -0.77 -0.43 0.00 -0.02 0.00 0.00 54.58 53.21 1rz1 n ASN 34 Cb 0.57 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.58 1rz1 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rz1 n ALA 35 N -0.56 4.24 -2.35 -2.53 0.00 -1.26 -4.92 120.51 113.13 1rz1 n ALA 35 Ca 0.01 -3.98 -0.20 0.00 0.00 0.00 0.00 53.44 49.27 1rz1 n ALA 35 Cb 0.04 -3.42 -0.09 0.00 0.00 0.00 0.00 19.45 15.98 1rz1 n ALA 35 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rz1 s PHE 36 N 3.08 1.65 0.09 0.00 5.36 -1.26 -1.71 117.98 125.19 1rz1 s PHE 36 Ca 0.49 -1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 54.73 1rz1 s PHE 36 Cb 0.05 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 1rz1 s PHE 36 CO 0.02 -0.58 0.93 0.45 -1.46 0.00 0.00 175.22 174.58 1rz1 s SER 38 N -3.41 7.43 -0.06 6.13 0.15 -1.26 -5.02 113.70 117.67 1rz1 s SER 38 Ca 0.35 1.72 -0.10 0.00 0.70 0.00 0.00 55.95 58.62 1rz1 s SER 38 Cb 0.04 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1rz1 s SER 38 CO 0.19 -0.08 -0.19 0.52 1.20 0.00 0.00 173.24 174.89 1rz1 n VAL 39 N 2.94 1.26 -4.11 4.45 0.31 -0.71 -4.90 118.33 117.57 1rz1 n VAL 39 Ca 0.02 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1rz1 n VAL 39 Cb 0.50 -1.97 -0.13 0.00 -0.91 0.00 0.00 33.84 31.33 1rz1 n VAL 39 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rz1 s SER 40 N -5.81 0.79 -0.21 4.52 0.15 -0.83 -4.97 113.70 107.35 1rz1 s SER 40 Ca -0.15 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 55.95 1rz1 s SER 40 Cb 0.02 -0.01 -0.19 0.00 -1.71 0.00 0.00 66.02 64.13 1rz1 s SER 40 CO 0.23 -0.09 0.15 -0.11 1.20 0.00 0.00 173.24 174.61 1rz1 n LEU 41 N 2.06 2.03 -3.92 3.45 7.94 -1.26 -0.93 117.00 126.37 1rz1 n LEU 41 Ca -0.19 0.36 -0.30 0.00 -1.11 0.00 0.00 56.01 54.77 1rz1 n LEU 41 Cb 0.56 -0.97 -0.15 0.00 0.53 0.00 0.00 43.42 43.39 1rz1 n LEU 41 CO 0.23 0.43 -0.38 0.20 -1.11 0.00 0.00 177.39 176.76 1rz1 s ASN 42 N -6.97 4.11 0.95 1.96 0.01 -1.26 -2.82 114.94 110.93 1rz1 s ASN 42 Ca -0.29 -1.51 -0.15 0.00 -0.71 0.00 0.00 52.86 50.20 1rz1 s ASN 42 Cb 0.07 -1.22 0.18 0.00 0.41 0.00 0.00 41.25 40.69 1rz1 s ASN 42 CO 0.61 -0.31 1.25 -2.16 -1.51 0.00 0.00 177.10 174.98 1rz1 s PRO 43 N 1.32 0.75 -0.78 -0.60 0.04 -1.26 -5.04 135.00 129.43 1rz1 s PRO 43 Ca 0.01 -0.18 -0.26 0.00 0.04 0.00 0.00 61.00 60.61 1rz1 s PRO 43 Cb -0.19 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1rz1 s PRO 43 CO -0.11 -2.38 1.32 0.15 0.04 0.00 0.00 177.00 176.03 1rz1 s LYS 44 N -5.69 3.23 0.14 4.56 1.02 -1.13 -4.53 119.74 117.34 1rz1 s LYS 44 Ca 0.70 -0.34 0.11 0.00 0.02 0.00 0.00 55.97 56.46 1rz1 s LYS 44 Cb -0.07 -4.36 -0.04 0.00 -0.52 0.00 0.00 37.83 32.84 1rz1 s LYS 44 CO 0.53 -2.18 -0.25 -0.51 -0.92 0.00 0.00 175.35 172.01 1rz1 s LEU 45 N 5.75 2.39 0.08 3.17 1.43 -0.11 -1.22 118.68 130.16 1rz1 s LEU 45 Ca 0.38 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1rz1 s LEU 45 Cb -0.07 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1rz1 s LEU 45 CO 0.12 0.16 -0.01 0.54 0.23 0.00 0.00 176.35 177.39 1rz1 s VAL 46 N -1.22 0.25 0.00 -1.59 0.11 0.03 -1.74 120.40 116.24 1rz1 s VAL 46 Ca 0.16 -1.85 -0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1rz1 s VAL 46 Cb -0.10 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1rz1 s VAL 46 CO 0.07 -0.85 -0.00 -0.22 -3.33 0.00 0.00 175.10 170.77 1rz1 s LEU 47 N -2.97 2.05 0.08 2.54 0.20 -1.26 -0.53 118.68 118.78 1rz1 s LEU 47 Ca 0.12 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 54.88 1rz1 s LEU 47 Cb 0.08 0.03 -0.03 0.00 -0.43 0.00 0.00 46.19 45.84 1rz1 s LEU 47 CO -0.06 -0.07 -0.15 0.54 -0.29 0.00 0.00 176.35 176.32 1rz1 s VAL 48 N -0.34 1.21 -0.17 1.68 0.11 -0.87 -4.36 120.40 117.65 1rz1 s VAL 48 Ca -0.04 -1.40 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1rz1 s VAL 48 Cb -0.02 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1rz1 s VAL 48 CO -0.00 -0.24 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.80 1rz1 s SER 49 N -1.88 3.05 -0.08 3.54 0.15 -0.69 -1.11 113.70 116.68 1rz1 s SER 49 Ca 0.01 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1rz1 s SER 49 Cb -0.09 -1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 1rz1 s SER 49 CO 0.03 -0.02 -0.24 -0.63 1.20 0.00 0.00 173.24 173.57 1rz1 s ILE 50 N 1.34 2.09 0.52 6.45 1.01 0.10 -4.80 121.20 127.91 1rz1 s ILE 50 Ca 0.04 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 1rz1 s ILE 50 Cb -0.13 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 1rz1 s ILE 50 CO -0.12 0.56 1.21 -0.83 0.00 0.00 0.00 174.94 175.76 1rz1 s GLY 51 N 0.08 2.77 0.56 6.18 0.00 -1.26 -0.14 107.32 115.51 1rz1 s GLY 51 Ca -0.11 1.02 0.24 0.00 0.00 0.00 0.00 44.72 45.87 1rz1 s GLY 51 CO 0.06 1.46 2.21 1.05 0.00 0.00 0.00 173.10 177.88 1rz1 h GLU 52 N 1.53 0.00 -0.12 2.90 4.11 -1.35 -1.97 114.58 119.68 1rz1 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz1 h GLU 52 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rz1 h GLU 52 CO 0.58 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.29 1rz1 n LYS 53 N -4.14 2.05 -2.71 1.06 5.02 -1.26 -4.93 118.16 113.25 1rz1 n LYS 53 Ca -0.03 -1.55 -0.41 0.00 -2.02 0.00 0.00 58.31 54.30 1rz1 n LYS 53 Cb 0.10 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1rz1 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rz1 s ALA 54 N -1.87 3.21 0.00 7.82 0.00 -0.74 -5.02 121.76 125.17 1rz1 s ALA 54 Ca 0.34 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1rz1 s ALA 54 Cb 0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1rz1 s ALA 54 CO 0.31 -0.13 0.00 1.63 0.00 0.00 0.00 175.76 177.57 1rz1 n LYS 55 N 3.27 0.00 0.00 0.00 5.02 -1.26 -4.19 118.16 121.00 1rz1 n LYS 55 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1rz1 n LYS 55 Cb 0.50 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1rz1 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rz1 n LEU 57 N 1.47 0.00 -0.28 -0.35 0.00 -1.26 -3.18 117.00 113.41 1rz1 n LEU 57 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1rz1 n LEU 57 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.48 1rz1 n LEU 57 CO 0.00 0.00 1.00 1.05 0.00 0.00 0.00 177.39 179.44 1rz1 h GLU 58 N 0.00 1.18 -0.60 1.96 9.09 -1.95 -1.78 114.58 122.47 1rz1 h GLU 58 Ca 0.00 -0.25 0.08 0.00 0.05 0.00 0.00 59.36 59.24 1rz1 h GLU 58 Cb 0.00 -0.17 -0.06 0.00 -1.65 0.00 0.00 28.75 26.87 1rz1 h GLU 58 CO 0.00 0.99 0.27 0.87 0.05 0.00 0.00 179.01 181.19 1rz1 h LYS 59 N 1.13 0.47 -0.15 1.06 1.79 -1.90 -1.15 116.57 117.82 1rz1 h LYS 59 Ca 0.25 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.48 1rz1 h LYS 59 Cb 0.30 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1rz1 h LYS 59 CO -0.01 0.31 -0.73 0.82 -1.08 0.00 0.00 179.45 178.76 1rz1 h ILE 60 N 0.49 1.30 -0.79 1.86 2.04 -1.83 -1.28 117.51 119.31 1rz1 h ILE 60 Ca 0.29 -1.98 0.12 0.00 1.00 0.00 0.00 64.86 64.29 1rz1 h ILE 60 Cb 0.29 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 1rz1 h ILE 60 CO -0.25 0.62 0.52 1.56 0.00 0.00 0.00 178.15 180.60 1rz1 h GLN 61 N 0.49 0.59 0.00 2.37 4.20 -0.84 0.16 115.11 122.07 1rz1 h GLN 61 Ca -0.04 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1rz1 h GLN 61 Cb 1.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1rz1 h GLN 61 CO 0.15 0.39 -0.26 1.96 -0.67 0.00 0.00 178.83 180.39 1rz1 h GLN 62 N 0.60 0.00 0.00 1.46 4.20 -1.15 -3.37 115.11 116.86 1rz1 h GLN 62 Ca 0.38 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.04 1rz1 h GLN 62 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1rz1 h GLN 62 CO -0.14 0.81 -0.22 0.66 -0.67 0.00 0.00 178.83 179.26 1rz1 h SER 63 N -1.00 0.00 -1.44 1.46 4.64 -1.20 -3.47 113.55 112.54 1rz1 h SER 63 Ca -0.07 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.87 1rz1 h SER 63 Cb 0.89 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.85 1rz1 h SER 63 CO -0.04 0.22 -0.37 0.29 -0.87 0.00 0.00 176.83 176.06 1rz1 n LYS 64 N -3.52 -1.47 -3.88 4.77 4.76 0.54 -4.96 118.16 114.40 1rz1 n LYS 64 Ca -0.01 1.07 -0.09 0.00 -2.87 0.00 0.00 58.31 56.41 1rz1 n LYS 64 Cb 0.38 -5.46 -0.08 0.00 -1.84 0.00 0.00 35.03 28.03 1rz1 n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1rz1 s LYS 65 N -3.80 0.80 0.03 1.97 -2.85 -1.26 -0.84 119.74 113.79 1rz1 s LYS 65 Ca 0.00 -0.96 -0.28 0.00 -1.00 0.00 0.00 55.97 53.73 1rz1 s LYS 65 Cb 0.00 0.32 0.07 0.00 -2.06 0.00 0.00 37.83 36.16 1rz1 s LYS 65 CO 0.00 -0.24 0.68 1.52 0.10 0.00 0.00 175.35 177.41 1rz1 s TYR 66 N -3.74 -0.58 0.07 1.78 -0.85 -0.98 -4.77 117.35 108.28 1rz1 s TYR 66 Ca 0.04 0.75 0.07 0.00 -0.52 0.00 0.00 57.07 57.41 1rz1 s TYR 66 Cb 0.05 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1rz1 s TYR 66 CO -0.10 -0.68 -0.12 0.00 -1.52 0.00 0.00 175.55 173.12 1rz1 s ALA 67 N -2.25 2.86 -0.22 9.51 0.00 0.53 -0.63 121.76 131.55 1rz1 s ALA 67 Ca -0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1rz1 s ALA 67 Cb -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1rz1 s ALA 67 CO -0.00 0.62 0.00 0.08 0.00 0.00 0.00 175.76 176.46 1rz1 s VAL 68 N -1.10 3.84 -0.37 0.00 1.01 0.70 -0.72 120.40 123.75 1rz1 s VAL 68 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1rz1 s VAL 68 Cb -0.11 -2.75 0.07 0.00 0.00 0.00 0.00 36.38 33.59 1rz1 s VAL 68 CO 0.10 0.41 0.15 0.20 0.00 0.00 0.00 175.10 175.96 1rz1 s ASN 69 N 1.27 5.29 -0.02 3.32 0.01 0.28 -1.44 114.94 123.65 1rz1 s ASN 69 Ca 0.04 -1.51 -0.30 0.00 -0.71 0.00 0.00 52.86 50.38 1rz1 s ASN 69 Cb -0.15 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1rz1 s ASN 69 CO 0.01 -0.43 1.07 -0.63 -1.51 0.00 0.00 177.10 175.61 1rz1 s ILE 70 N 1.30 4.57 0.05 0.60 1.01 -0.28 -0.41 121.20 128.03 1rz1 s ILE 70 Ca 0.01 1.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.34 1rz1 s ILE 70 Cb -0.21 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 1rz1 s ILE 70 CO -0.00 0.08 0.50 -0.76 0.00 0.00 0.00 174.94 174.76 1rz1 s LEU 71 N 1.50 4.50 0.68 2.97 1.43 0.08 -0.05 118.68 129.79 1rz1 s LEU 71 Ca 0.53 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1rz1 s LEU 71 Cb -0.23 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.25 1rz1 s LEU 71 CO 0.25 0.29 1.02 -0.94 0.23 0.00 0.00 176.35 177.20 1rz1 s SER 72 N -1.12 5.15 0.57 2.29 1.04 -1.26 -2.03 113.70 118.33 1rz1 s SER 72 Ca 0.27 0.72 0.30 0.00 0.48 0.00 0.00 55.95 57.72 1rz1 s SER 72 Cb -0.18 -1.49 1.46 0.00 0.10 0.00 0.00 66.02 65.91 1rz1 s SER 72 CO 0.17 -1.42 1.88 -0.61 0.98 0.00 0.00 173.24 174.24 1rz1 h GLN 73 N -0.54 0.00 -0.29 4.02 4.15 -1.20 -2.00 115.11 119.25 1rz1 h GLN 73 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1rz1 h GLN 73 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1rz1 h GLN 73 CO 0.62 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.27 1rz1 n ASP 74 N -3.95 1.63 -1.03 -0.69 8.00 -1.26 -4.30 116.55 114.95 1rz1 n ASP 74 Ca 0.13 -1.96 0.03 0.00 0.71 0.00 0.00 54.79 53.69 1rz1 n ASP 74 Cb 0.80 -0.19 0.14 0.00 -0.02 0.00 0.00 41.12 41.85 1rz1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz1 n GLN 75 N 0.38 1.37 -0.08 -1.24 6.02 -0.75 -4.76 117.38 118.32 1rz1 n GLN 75 Ca 0.11 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 1rz1 n GLN 75 Cb 0.26 -1.27 0.29 0.00 1.02 0.00 0.00 30.24 30.54 1rz1 n GLN 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rz1 h LYS 76 N 1.16 0.71 -0.46 -1.09 3.64 -1.77 -2.31 116.57 116.44 1rz1 h LYS 76 Ca -0.03 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1rz1 h LYS 76 Cb 1.28 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1rz1 h LYS 76 CO 0.10 0.58 -0.01 0.28 -2.27 0.00 0.00 179.45 178.13 1rz1 h VAL 77 N 0.70 1.24 -0.47 2.00 2.07 -1.95 -2.75 116.25 117.09 1rz1 h VAL 77 Ca 0.17 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1rz1 h VAL 77 Cb 0.14 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rz1 h VAL 77 CO -0.02 0.35 0.16 -0.07 0.02 0.00 0.00 177.57 178.01 1rz1 h LEU 78 N 0.72 0.68 -0.45 2.57 3.38 -1.80 -0.11 115.31 120.30 1rz1 h LEU 78 Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rz1 h LEU 78 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rz1 h LEU 78 CO 0.02 0.69 0.00 -0.24 0.09 0.00 0.00 178.44 179.00 1rz1 n SER 79 N -4.54 0.00 0.00 -0.43 2.88 -0.96 -1.30 113.62 109.27 1rz1 n SER 79 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1rz1 n SER 79 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1rz1 n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rz1 n ASN 81 N -0.03 0.00 -0.14 -3.46 5.15 -0.05 -1.64 115.26 115.09 1rz1 n ASN 81 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1rz1 n ASN 81 Cb 0.00 0.00 0.65 0.00 -0.53 0.00 0.00 39.78 39.90 1rz1 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz1 n PHE 82 N 0.00 0.03 0.69 1.20 3.72 -0.42 -2.31 117.46 120.38 1rz1 n PHE 82 Ca 0.00 -0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1rz1 n PHE 82 Cb 0.00 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 1rz1 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rz1 n ALA 83 N -0.58 2.44 -1.82 4.37 0.00 -0.65 -1.39 120.51 122.88 1rz1 n ALA 83 Ca 0.18 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1rz1 n ALA 83 Cb 0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 1rz1 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz1 n GLY 84 N 1.42 0.34 0.83 0.00 0.00 -0.98 -4.94 105.19 101.87 1rz1 n GLY 84 Ca 0.17 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.59 1rz1 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rz1 n GLN 85 N -1.94 1.87 -4.83 1.61 6.02 -1.26 -4.91 117.38 113.94 1rz1 n GLN 85 Ca -0.07 -1.79 -0.33 0.00 -0.01 0.00 0.00 57.00 54.81 1rz1 n GLN 85 Cb 0.44 -1.39 -0.13 0.00 1.02 0.00 0.00 30.24 30.18 1rz1 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rz1 s LEU 86 N -1.52 2.80 0.22 1.08 1.43 -1.26 -4.96 118.68 116.48 1rz1 s LEU 86 Ca 0.26 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1rz1 s LEU 86 Cb 0.17 -1.59 0.18 0.00 0.03 0.00 0.00 46.19 44.98 1rz1 s LEU 86 CO 0.25 0.32 1.84 -0.33 0.23 0.00 0.00 176.35 178.66 1rz1 h GLU 87 N 5.56 1.15 -5.19 1.70 4.39 -2.00 -3.41 114.58 116.80 1rz1 h GLU 87 Ca -0.43 -0.13 -0.66 0.00 0.34 0.00 0.00 59.36 58.48 1rz1 h GLU 87 Cb 1.17 -0.23 -0.29 0.00 -0.10 0.00 0.00 28.75 29.30 1rz1 h GLU 87 CO 0.52 0.84 -0.78 0.21 -1.16 0.00 0.00 179.01 178.64 1rz1 s LYS 88 N -5.87 3.28 0.56 2.33 2.20 -1.26 -5.10 119.74 115.88 1rz1 s LYS 88 Ca -0.13 -0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 54.56 1rz1 s LYS 88 Cb 0.16 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1rz1 s LYS 88 CO 0.81 0.02 1.32 -2.14 -0.36 0.00 0.00 175.35 175.00 1rz1 s PRO 89 N 0.83 3.10 0.45 4.03 0.02 -1.26 -5.01 135.00 137.16 1rz1 s PRO 89 Ca -0.04 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.05 1rz1 s PRO 89 Cb -0.15 -2.18 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1rz1 s PRO 89 CO 0.00 -1.19 0.76 0.14 -0.33 0.00 0.00 177.00 176.39 1rz1 s VAL 90 N -1.36 4.90 -0.61 3.83 -7.23 -1.26 -5.03 120.40 113.64 1rz1 s VAL 90 Ca 0.73 0.23 -0.24 0.00 -1.81 0.00 0.00 61.98 60.89 1rz1 s VAL 90 Cb -0.38 -3.84 0.05 0.00 0.56 0.00 0.00 36.38 32.77 1rz1 s VAL 90 CO 0.44 -0.76 1.01 -0.62 -0.31 0.00 0.00 175.10 174.85 1rz1 s ASP 91 N -3.91 6.26 -0.02 4.85 2.15 -1.26 -5.01 116.67 119.74 1rz1 s ASP 91 Ca 0.48 -0.56 -0.19 0.00 0.43 0.00 0.00 52.55 52.71 1rz1 s ASP 91 Cb -0.10 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1rz1 s ASP 91 CO 0.42 -1.39 0.53 -0.69 -0.17 0.00 0.00 175.17 173.87 1rz1 s VAL 92 N 4.27 4.97 -0.47 1.11 1.01 -1.26 -5.04 120.40 124.99 1rz1 s VAL 92 Ca 0.29 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1rz1 s VAL 92 Cb -0.13 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1rz1 s VAL 92 CO 0.16 0.44 0.88 -1.10 0.00 0.00 0.00 175.10 175.48 1rz1 s GLN 93 N -0.28 3.46 0.12 2.72 -1.52 -1.26 -5.05 119.66 117.85 1rz1 s GLN 93 Ca 0.28 0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.71 1rz1 s GLN 93 Cb -0.17 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1rz1 s GLN 93 CO 0.15 -1.23 0.28 -0.06 -0.25 0.00 0.00 175.29 174.18 1rz1 s PHE 94 N 3.63 3.50 0.00 0.91 0.40 -1.26 -1.98 117.98 123.18 1rz1 s PHE 94 Ca 0.34 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1rz1 s PHE 94 Cb -0.11 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1rz1 s PHE 94 CO 0.24 0.52 0.00 -0.85 0.70 0.00 0.00 175.22 175.83 1rz1 n GLU 95 N -0.17 0.93 -4.40 0.44 0.28 0.09 -4.84 120.64 112.97 1rz1 n GLU 95 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.74 1rz1 n GLU 95 Cb 0.53 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.26 1rz1 n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rz1 s GLU 96 N -0.54 0.96 -0.23 3.44 2.12 -1.26 -0.69 118.70 122.49 1rz1 s GLU 96 Ca 0.00 -0.69 -0.10 0.00 0.36 0.00 0.00 54.97 54.54 1rz1 s GLU 96 Cb 0.00 -0.95 0.09 0.00 0.26 0.00 0.00 34.13 33.53 1rz1 s GLU 96 CO 0.00 0.24 0.53 -1.17 -0.54 0.00 0.00 175.26 174.32 1rz1 s LEU 97 N -0.96 -0.71 -1.31 2.70 2.96 -0.16 -4.89 118.68 116.32 1rz1 s LEU 97 Ca 0.02 1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1rz1 s LEU 97 Cb -0.07 1.81 0.01 0.00 0.50 0.00 0.00 46.19 48.44 1rz1 s LEU 97 CO 0.01 -0.22 0.17 0.61 -1.32 0.00 0.00 176.35 175.59 1rz1 n GLY 98 N 4.92 -0.50 2.03 7.98 0.00 -1.26 -0.99 105.19 117.37 1rz1 n GLY 98 Ca -0.15 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rz1 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rz1 n GLY 99 N -1.01 0.48 3.60 -0.02 0.00 -1.26 -4.96 105.19 102.02 1rz1 n GLY 99 Ca -0.14 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1rz1 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rz1 s LEU 100 N -0.00 3.12 0.12 0.99 1.43 -0.16 -4.96 118.68 119.22 1rz1 s LEU 100 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1rz1 s LEU 100 Cb 0.00 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.26 1rz1 s LEU 100 CO 0.00 0.19 1.21 -2.16 0.23 0.00 0.00 176.35 175.82 1rz1 s PRO 101 N -2.12 4.45 0.20 1.29 0.04 -1.26 -0.98 135.00 136.62 1rz1 s PRO 101 Ca 0.22 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1rz1 s PRO 101 Cb -0.11 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1rz1 s PRO 101 CO 0.14 -0.19 -0.05 0.14 0.04 0.00 0.00 177.00 177.07 1rz1 s VAL 102 N 0.55 1.19 -0.18 -0.36 -7.23 0.13 -4.69 120.40 109.81 1rz1 s VAL 102 Ca 0.56 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 1rz1 s VAL 102 Cb -0.31 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1rz1 s VAL 102 CO 0.33 -0.49 0.44 -0.63 -0.31 0.00 0.00 175.10 174.44 1rz1 s ILE 103 N -3.32 5.18 0.30 -0.62 1.01 -1.26 -0.73 121.20 121.76 1rz1 s ILE 103 Ca 0.24 0.81 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 1rz1 s ILE 103 Cb 0.04 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1rz1 s ILE 103 CO 0.06 0.25 1.55 1.17 0.00 0.00 0.00 174.94 177.97 1rz1 n LYS 104 N 4.38 2.61 -1.15 2.79 4.81 -0.84 -2.57 118.16 128.20 1rz1 n LYS 104 Ca -0.07 0.93 -0.05 0.00 -0.87 0.00 0.00 58.31 58.24 1rz1 n LYS 104 Cb 0.51 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.86 1rz1 n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rz1 n ASP 105 N 1.81 -4.51 -4.67 3.14 8.00 -1.26 -5.00 116.55 114.06 1rz1 n ASP 105 Ca 0.07 0.13 -0.35 0.00 0.71 0.00 0.00 54.79 55.35 1rz1 n ASP 105 Cb 0.37 -2.46 0.10 0.00 -0.02 0.00 0.00 41.12 39.11 1rz1 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz1 n ALA 106 N 1.09 0.13 -0.18 2.24 0.00 -1.06 -4.71 120.51 118.02 1rz1 n ALA 106 Ca -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 1rz1 n ALA 106 Cb 0.32 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.60 1rz1 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz1 h LEU 107 N -0.44 0.48 -7.59 0.00 5.85 -0.73 -3.44 115.31 109.44 1rz1 h LEU 107 Ca -0.48 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.15 1rz1 h LEU 107 Cb 1.32 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 42.08 1rz1 h LEU 107 CO 0.47 0.33 -0.30 0.00 -0.34 0.00 0.00 178.44 178.61 1rz1 s ALA 108 N -6.13 -0.62 -0.04 1.25 0.00 -1.12 -1.33 121.76 113.77 1rz1 s ALA 108 Ca -0.13 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1rz1 s ALA 108 Cb 0.14 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1rz1 s ALA 108 CO 0.74 -0.36 -0.09 -0.65 0.00 0.00 0.00 175.76 175.41 1rz1 s GLN 109 N -2.21 1.14 -0.10 0.00 -0.21 0.30 -1.13 119.66 117.44 1rz1 s GLN 109 Ca -0.08 -0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.00 1rz1 s GLN 109 Cb -0.02 -1.03 0.04 0.00 1.00 0.00 0.00 33.01 33.00 1rz1 s GLN 109 CO -0.01 0.04 0.01 0.42 -2.12 0.00 0.00 175.29 173.63 1rz1 s ILE 110 N 0.51 0.38 -0.12 1.08 1.01 -0.52 -0.98 121.20 122.57 1rz1 s ILE 110 Ca -0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1rz1 s ILE 110 Cb -0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1rz1 s ILE 110 CO 0.01 0.13 0.15 -0.44 0.00 0.00 0.00 174.94 174.80 1rz1 s SER 111 N 1.96 6.41 0.04 3.58 0.01 -0.56 -0.22 113.70 124.92 1rz1 s SER 111 Ca 0.04 0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.80 1rz1 s SER 111 Cb -0.13 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1rz1 s SER 111 CO -0.06 0.40 -0.05 0.00 0.41 0.00 0.00 173.24 173.94 1rz1 s GLN 113 N -2.06 3.44 0.06 0.00 -1.52 -0.28 -2.31 119.66 116.99 1rz1 s GLN 113 Ca -0.08 -0.65 -0.31 0.00 -1.95 0.00 0.00 55.36 52.38 1rz1 s GLN 113 Cb -0.06 -2.69 -0.08 0.00 -0.22 0.00 0.00 33.01 29.96 1rz1 s GLN 113 CO -0.02 0.21 1.63 0.08 -0.25 0.00 0.00 175.29 176.94 1rz1 s VAL 114 N 0.37 3.12 -0.20 1.09 1.01 -0.02 -0.67 120.40 125.10 1rz1 s VAL 114 Ca -0.09 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1rz1 s VAL 114 Cb -0.16 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 1rz1 s VAL 114 CO 0.05 -0.00 0.24 1.33 0.00 0.00 0.00 175.10 176.71 1rz1 n VAL 115 N 4.75 0.00 -3.57 2.92 0.24 -0.07 -4.91 118.33 117.70 1rz1 n VAL 115 Ca 0.16 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1rz1 n VAL 115 Cb 0.41 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.46 1rz1 n VAL 115 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rz1 s ASN 116 N -2.11 -0.44 -0.14 -1.34 3.04 -1.18 -5.03 114.94 107.74 1rz1 s ASN 116 Ca 0.01 0.17 -0.04 0.00 0.04 0.00 0.00 52.86 53.04 1rz1 s ASN 116 Cb 0.05 0.49 0.06 0.00 -1.54 0.00 0.00 41.25 40.32 1rz1 s ASN 116 CO 0.29 -0.72 0.16 -0.70 -3.04 0.00 0.00 177.10 173.09 1rz1 s GLU 117 N -2.47 0.09 -0.14 0.43 2.12 -1.26 -1.68 118.70 115.79 1rz1 s GLU 117 Ca -0.05 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.59 1rz1 s GLU 117 Cb -0.01 -0.92 0.02 0.00 0.26 0.00 0.00 34.13 33.48 1rz1 s GLU 117 CO -0.02 -0.50 -0.14 0.08 -0.54 0.00 0.00 175.26 174.14 1rz1 s VAL 118 N 2.27 1.53 0.22 3.70 1.01 -0.30 -4.96 120.40 123.86 1rz1 s VAL 118 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1rz1 s VAL 118 Cb -0.14 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 1rz1 s VAL 118 CO -0.08 0.45 1.08 -1.58 0.00 0.00 0.00 175.10 174.97 1rz1 s GLN 119 N 1.41 4.64 -0.30 2.72 0.74 -1.26 -0.55 119.66 127.05 1rz1 s GLN 119 Ca 0.03 1.72 -0.01 0.00 0.05 0.00 0.00 55.36 57.15 1rz1 s GLN 119 Cb -0.13 -3.25 0.13 0.00 1.10 0.00 0.00 33.01 30.86 1rz1 s GLN 119 CO -0.09 0.17 0.26 0.00 -0.55 0.00 0.00 175.29 175.08 1rz1 s ALA 120 N -0.63 -0.08 0.00 1.58 0.00 0.19 -4.94 121.76 117.88 1rz1 s ALA 120 Ca 0.47 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1rz1 s ALA 120 Cb -0.30 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1rz1 s ALA 120 CO 0.36 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1rz1 n GLY 121 N 5.07 2.94 0.03 0.00 0.00 -1.26 -1.78 105.19 110.19 1rz1 n GLY 121 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1rz1 n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rz1 n ASP 122 N 3.43 0.08 -4.10 1.61 10.43 -1.26 -4.84 116.55 121.89 1rz1 n ASP 122 Ca 0.00 0.41 -0.08 0.00 2.57 0.00 0.00 54.79 57.69 1rz1 n ASP 122 Cb 0.00 -0.41 -0.10 0.00 1.84 0.00 0.00 41.12 42.45 1rz1 n ASP 122 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1rz1 s HIS 123 N -2.86 0.67 -0.05 1.24 3.76 -0.74 -0.88 115.29 116.43 1rz1 s HIS 123 Ca -0.00 -1.12 0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1rz1 s HIS 123 Cb 0.01 -0.41 -0.01 0.00 1.11 0.00 0.00 32.58 33.28 1rz1 s HIS 123 CO 0.03 -0.47 -0.23 0.99 -0.85 0.00 0.00 174.74 174.20 1rz1 s THR 124 N -3.98 1.92 -0.27 1.30 2.01 0.80 -0.64 115.64 116.78 1rz1 s THR 124 Ca 0.16 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1rz1 s THR 124 Cb 0.07 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1rz1 s THR 124 CO -0.04 0.54 0.28 -0.76 -0.69 0.00 0.00 174.62 173.95 1rz1 s LEU 125 N -0.13 4.05 -0.37 4.42 1.43 0.29 -0.72 118.68 127.63 1rz1 s LEU 125 Ca -0.03 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1rz1 s LEU 125 Cb -0.13 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1rz1 s LEU 125 CO 0.03 -0.10 0.19 -0.36 0.23 0.00 0.00 176.35 176.34 1rz1 s PHE 126 N 1.80 3.26 -0.10 0.29 0.08 -0.27 -1.15 117.98 121.90 1rz1 s PHE 126 Ca 0.11 -1.21 -0.25 0.00 0.12 0.00 0.00 56.93 55.71 1rz1 s PHE 126 Cb -0.16 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.78 1rz1 s PHE 126 CO 0.10 -0.71 0.79 0.42 -0.10 0.00 0.00 175.22 175.71 1rz1 s ILE 127 N 1.48 4.96 -0.02 0.64 1.01 -0.67 -2.06 121.20 126.54 1rz1 s ILE 127 Ca 0.01 1.60 0.06 0.00 0.00 0.00 0.00 60.65 62.32 1rz1 s ILE 127 Cb -0.20 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 1rz1 s ILE 127 CO 0.05 0.15 -0.21 -0.83 0.00 0.00 0.00 174.94 174.10 1rz1 s GLY 128 N 0.97 1.04 -0.17 6.18 0.00 0.31 -0.89 107.32 114.76 1rz1 s GLY 128 Ca 0.40 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 44.06 1rz1 s GLY 128 CO 0.17 -0.73 0.37 1.85 0.00 0.00 0.00 173.10 174.76 1rz1 s GLU 129 N -0.45 4.24 -0.12 2.90 2.12 0.15 -0.79 118.70 126.75 1rz1 s GLU 129 Ca 0.07 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 1rz1 s GLU 129 Cb -0.09 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1rz1 s GLU 129 CO -0.00 0.12 1.02 0.08 -0.54 0.00 0.00 175.26 175.93 1rz1 s VAL 130 N 0.82 4.76 -0.19 3.70 1.01 -0.36 -1.13 120.40 129.01 1rz1 s VAL 130 Ca 0.19 2.03 0.11 0.00 0.00 0.00 0.00 61.98 64.32 1rz1 s VAL 130 Cb -0.14 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.74 1rz1 s VAL 130 CO 0.07 -0.02 -0.02 0.35 0.00 0.00 0.00 175.10 175.47 1rz1 n THR 131 N 4.66 1.22 -3.87 3.92 -2.24 -0.05 -4.91 114.28 113.02 1rz1 n THR 131 Ca 0.09 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 1rz1 n THR 131 Cb 0.48 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 1rz1 n THR 131 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rz1 s ASP 132 N -5.46 0.01 -0.02 3.42 1.01 -1.21 -5.02 116.67 109.40 1rz1 s ASP 132 Ca -0.15 -0.18 -0.01 0.00 0.71 0.00 0.00 52.55 52.91 1rz1 s ASP 132 Cb 0.06 0.21 0.01 0.00 1.01 0.00 0.00 42.92 44.22 1rz1 s ASP 132 CO 0.65 -0.36 0.05 -0.63 0.21 0.00 0.00 175.17 175.10 1rz1 s ILE 133 N -1.33 -0.02 -0.03 0.77 1.01 -1.26 -1.49 121.20 118.85 1rz1 s ILE 133 Ca -0.14 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1rz1 s ILE 133 Cb -0.07 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.32 1rz1 s ILE 133 CO 0.02 0.02 -0.05 -0.75 0.00 0.00 0.00 174.94 174.18 1rz1 s LYS 134 N 0.33 0.69 0.08 2.79 2.47 -0.15 -4.99 119.74 120.96 1rz1 s LYS 134 Ca -0.03 -0.14 0.07 0.00 -1.56 0.00 0.00 55.97 54.32 1rz1 s LYS 134 Cb -0.04 -0.70 -0.03 0.00 -1.46 0.00 0.00 37.83 35.60 1rz1 s LYS 134 CO -0.01 -0.01 -0.18 0.42 0.16 0.00 0.00 175.35 175.73 1rz1 s ILE 135 N 0.55 1.43 0.43 5.43 1.01 -1.26 -0.54 121.20 128.24 1rz1 s ILE 135 Ca -0.07 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.20 1rz1 s ILE 135 Cb -0.10 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1rz1 s ILE 135 CO -0.00 -0.12 0.11 0.42 0.00 0.00 0.00 174.94 175.34 1rz1 s THR 136 N -1.19 0.71 -0.32 2.92 -4.23 -0.44 -4.99 115.64 108.09 1rz1 s THR 136 Ca 0.03 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1rz1 s THR 136 Cb -0.10 -2.32 0.61 0.00 1.34 0.00 0.00 72.50 72.03 1rz1 s THR 136 CO 0.03 0.00 1.65 -0.62 -0.54 0.00 0.00 174.62 175.14 1rz1 n GLU 137 N -0.98 2.57 -1.08 3.99 -0.58 -1.26 -4.89 120.64 118.41 1rz1 n GLU 137 Ca -0.08 -3.07 -0.30 0.00 -0.42 0.00 0.00 57.16 53.28 1rz1 n GLU 137 Cb 0.65 -2.00 0.13 0.00 -0.57 0.00 0.00 31.44 29.65 1rz1 n GLU 137 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1rz1 s GLN 138 N -3.13 1.48 0.31 3.49 -0.21 -1.26 -5.03 119.66 115.30 1rz1 s GLN 138 Ca 0.50 1.12 -0.22 0.00 0.02 0.00 0.00 55.36 56.77 1rz1 s GLN 138 Cb 0.42 -1.81 -0.09 0.00 1.00 0.00 0.00 33.01 32.53 1rz1 s GLN 138 CO 0.07 -2.17 0.85 -0.51 -2.12 0.00 0.00 175.29 171.41 1rz1 s ASP 139 N -3.20 7.12 0.24 5.90 1.01 -1.26 -5.00 116.67 121.48 1rz1 s ASP 139 Ca 0.63 1.61 -0.15 0.00 0.71 0.00 0.00 52.55 55.35 1rz1 s ASP 139 Cb -0.19 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.16 1rz1 s ASP 139 CO 0.57 -0.10 0.66 -2.16 0.21 0.00 0.00 175.17 174.35 1rz1 s PRO 140 N -2.33 4.04 0.08 8.23 0.04 -1.26 -0.98 135.00 142.82 1rz1 s PRO 140 Ca 0.50 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1rz1 s PRO 140 Cb -0.15 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 1rz1 s PRO 140 CO 0.20 0.32 1.23 -1.17 0.04 0.00 0.00 177.00 177.62 1rz1 s LEU 141 N -2.44 4.38 0.24 -3.56 2.96 -0.86 -4.04 118.68 115.35 1rz1 s LEU 141 Ca 0.46 2.08 0.10 0.00 -0.22 0.00 0.00 54.13 56.56 1rz1 s LEU 141 Cb -0.13 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1rz1 s LEU 141 CO 0.19 -0.49 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.89 1rz1 s LEU 142 N 0.94 2.94 -0.05 -0.68 1.43 -0.80 -3.14 118.68 119.32 1rz1 s LEU 142 Ca 0.59 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1rz1 s LEU 142 Cb -0.31 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.43 1rz1 s LEU 142 CO 0.30 0.04 -0.00 0.12 0.23 0.00 0.00 176.35 177.04 1rz1 s PHE 143 N -2.18 0.55 -0.22 0.29 5.36 0.03 -1.19 117.98 120.62 1rz1 s PHE 143 Ca 0.29 -0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 1rz1 s PHE 143 Cb -0.07 -0.65 0.07 0.00 -0.34 0.00 0.00 43.02 42.03 1rz1 s PHE 143 CO 0.17 -0.24 0.56 0.12 -1.46 0.00 0.00 175.22 174.36 1rz1 s PHE 144 N 1.54 -0.80 -1.53 10.12 5.36 -0.08 -1.79 117.98 130.80 1rz1 s PHE 144 Ca -0.02 1.69 -0.13 0.00 -0.96 0.00 0.00 56.93 57.51 1rz1 s PHE 144 Cb -0.13 0.42 0.08 0.00 -0.34 0.00 0.00 43.02 43.05 1rz1 s PHE 144 CO -0.03 -0.42 0.97 0.43 -1.46 0.00 0.00 175.22 174.72 1rz1 n SER 145 N 4.04 -4.67 0.00 6.13 7.64 0.31 -1.73 113.62 125.33 1rz1 n SER 145 Ca -0.20 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1rz1 n SER 145 Cb 0.57 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1rz1 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rz1 n GLY 146 N -1.69 0.71 3.27 0.23 0.00 -1.26 -5.02 105.19 101.42 1rz1 n GLY 146 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1rz1 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz1 s LYS 147 N -0.05 1.10 0.27 1.61 1.02 -0.71 -5.14 119.74 117.84 1rz1 s LYS 147 Ca 0.00 -1.37 -0.28 0.00 0.02 0.00 0.00 55.97 54.35 1rz1 s LYS 147 Cb 0.00 -0.88 -0.09 0.00 -0.52 0.00 0.00 37.83 36.33 1rz1 s LYS 147 CO 0.00 0.15 0.92 0.71 -0.92 0.00 0.00 175.35 176.21 1rz1 s TYR 148 N -2.61 3.85 0.27 3.18 2.02 -1.26 -0.91 117.35 121.90 1rz1 s TYR 148 Ca 0.14 1.83 -0.00 0.00 -0.37 0.00 0.00 57.07 58.66 1rz1 s TYR 148 Cb -0.02 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.58 1rz1 s TYR 148 CO 0.03 0.36 0.28 -1.01 -1.57 0.00 0.00 175.55 173.64 1rz1 s HIS 149 N -1.37 1.23 0.17 2.71 3.76 -0.34 -4.93 115.29 116.53 1rz1 s HIS 149 Ca 0.44 -1.37 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1rz1 s HIS 149 Cb -0.22 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.99 1rz1 s HIS 149 CO 0.28 -0.84 -0.08 -0.65 -0.85 0.00 0.00 174.74 172.60 1rz1 s GLN 150 N -3.73 1.13 0.24 1.40 -0.21 -1.26 -1.90 119.66 115.33 1rz1 s GLN 150 Ca 0.36 -1.51 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1rz1 s GLN 150 Cb 0.03 -0.64 -0.09 0.00 1.00 0.00 0.00 33.01 33.32 1rz1 s GLN 150 CO 0.18 0.04 1.12 -0.51 -2.12 0.00 0.00 175.29 173.99 1rz1 s LEU 151 N -3.21 4.52 0.25 2.90 1.43 -1.26 -4.99 118.68 118.32 1rz1 s LEU 151 Ca 0.20 2.23 -0.31 0.00 -1.03 0.00 0.00 54.13 55.21 1rz1 s LEU 151 Cb 0.03 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.51 1rz1 s LEU 151 CO 0.03 -0.20 1.59 0.00 0.23 0.00 0.00 176.35 178.00 1rz1 n ALA 152 N 1.66 2.23 0.81 4.21 0.00 -1.26 -5.11 120.51 123.05 1rz1 n ALA 152 Ca 0.01 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.94 1rz1 n ALA 152 Cb 0.45 -2.43 0.08 0.00 0.00 0.00 0.00 19.45 17.55 1rz1 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54