#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 0.25 -0.25 1.67 3.45 -2.05 -2.71 116.42 116.77 1rz1 h ASP 3 Ca 0.00 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.18 1rz1 h ASP 3 Cb 0.00 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1rz1 h ASP 3 CO 0.00 0.86 -0.30 -0.09 -1.57 0.00 0.00 179.24 178.14 1rz1 h ARG 4 N 0.14 0.65 -0.67 3.56 2.43 -2.05 -1.69 114.38 116.75 1rz1 h ARG 4 Ca -0.02 -0.36 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1rz1 h ARG 4 Cb 1.24 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 1rz1 h ARG 4 CO 0.11 0.97 0.43 1.25 -1.51 0.00 0.00 179.97 181.22 1rz1 h LEU 5 N 0.37 0.73 -0.13 3.80 5.85 -1.99 0.14 115.31 124.09 1rz1 h LEU 5 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1rz1 h LEU 5 Cb 0.88 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1rz1 h LEU 5 CO 0.07 0.52 0.04 0.15 -0.34 0.00 0.00 178.44 178.88 1rz1 h PHE 6 N 0.87 0.20 -0.82 1.25 3.57 -1.49 -0.69 116.94 119.83 1rz1 h PHE 6 Ca 0.26 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1rz1 h PHE 6 Cb -0.05 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1rz1 h PHE 6 CO -0.03 0.32 0.46 0.00 -2.23 0.00 0.00 178.31 176.83 1rz1 h ARG 7 N 0.02 1.14 -0.31 1.11 3.08 -1.08 -2.36 114.38 115.99 1rz1 h ARG 7 Ca 0.04 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1rz1 h ARG 7 Cb 0.21 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1rz1 h ARG 7 CO -0.00 0.83 0.19 -0.91 -1.07 0.00 0.00 179.97 179.01 1rz1 h ASN 8 N 1.14 0.30 0.00 7.04 2.35 -0.66 -0.59 115.58 125.17 1rz1 h ASN 8 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1rz1 h ASN 8 Cb 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1rz1 h ASN 8 CO -0.05 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 1rz1 n ALA 9 N -2.21 0.96 0.00 -0.83 0.00 -0.27 -2.66 120.51 115.50 1rz1 n ALA 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rz1 n ALA 9 Cb 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.47 0.00 0.00 0.00 0.00 -0.23 -3.99 105.19 101.44 1rz1 n GLY 11 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.21 -3.34 1.61 4.76 -1.09 -0.81 118.16 119.51 1rz1 n LYS 12 Ca 0.00 0.12 -0.44 0.00 -2.87 0.00 0.00 58.31 55.12 1rz1 n LYS 12 Cb 0.00 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.61 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 -2.67 3.19 0.48 2.13 5.36 -1.26 -4.93 117.98 120.29 1rz1 s PHE 13 Ca 0.16 -0.67 -0.21 0.00 -0.96 0.00 0.00 56.93 55.25 1rz1 s PHE 13 Cb 0.13 -3.08 -0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1rz1 s PHE 13 CO 0.31 -0.79 1.12 0.00 -1.46 0.00 0.00 175.22 174.40 1rz1 s ALA 14 N 1.96 2.88 0.19 11.12 0.00 -1.26 -4.86 121.76 131.78 1rz1 s ALA 14 Ca 0.08 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 1rz1 s ALA 14 Cb -0.21 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1rz1 s ALA 14 CO 0.10 -0.58 0.24 0.95 0.00 0.00 0.00 175.76 176.47 1rz1 s THR 15 N -1.71 0.03 0.45 0.00 -4.23 -0.77 -5.00 115.64 104.42 1rz1 s THR 15 Ca 0.67 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1rz1 s THR 15 Cb -0.24 -2.18 0.11 0.00 1.34 0.00 0.00 72.50 71.53 1rz1 s THR 15 CO 0.29 -0.16 0.48 0.61 -0.54 0.00 0.00 174.62 175.31 1rz1 n GLY 16 N -0.25 -1.99 2.96 3.99 0.00 -1.26 -0.66 105.19 107.98 1rz1 n GLY 16 Ca -0.03 -1.57 -0.19 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 -1.97 0.64 0.31 1.61 1.01 -1.18 -4.55 120.40 116.26 1rz1 s VAL 17 Ca 0.29 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1rz1 s VAL 17 Cb -0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1rz1 s VAL 17 CO 0.22 0.21 -0.07 0.42 0.00 0.00 0.00 175.10 175.88 1rz1 s THR 18 N 0.35 1.91 -0.12 3.92 -4.23 -0.47 -0.74 115.64 116.25 1rz1 s THR 18 Ca -0.05 -2.16 -0.00 0.00 -1.18 0.00 0.00 61.69 58.31 1rz1 s THR 18 Cb -0.09 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1rz1 s THR 18 CO 0.00 -0.24 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.03 1rz1 s VAL 19 N -2.83 3.14 -0.15 2.29 1.01 0.45 -1.30 120.40 123.02 1rz1 s VAL 19 Ca 0.31 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1rz1 s VAL 19 Cb 0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1rz1 s VAL 19 CO 0.14 0.53 0.47 -0.63 0.00 0.00 0.00 175.10 175.61 1rz1 s ILE 20 N 0.23 5.18 0.22 2.22 -1.09 -1.26 -0.07 121.20 126.62 1rz1 s ILE 20 Ca -0.08 0.90 0.11 0.00 -2.23 0.00 0.00 60.65 59.36 1rz1 s ILE 20 Cb -0.15 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1rz1 s ILE 20 CO 0.05 0.29 -0.23 0.42 -1.23 0.00 0.00 174.94 174.25 1rz1 s THR 21 N 0.88 2.36 0.25 2.92 -4.23 0.13 -4.27 115.64 113.68 1rz1 s THR 21 Ca 0.24 -2.14 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 1rz1 s THR 21 Cb -0.15 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1rz1 s THR 21 CO 0.09 -0.21 0.51 0.28 -0.54 0.00 0.00 174.62 174.76 1rz1 s THR 22 N -1.94 0.00 -0.12 3.99 -1.32 -0.31 -0.21 115.64 115.73 1rz1 s THR 22 Ca 0.23 -1.35 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 1rz1 s THR 22 Cb -0.07 -2.17 0.01 0.00 -1.51 0.00 0.00 72.50 68.76 1rz1 s THR 22 CO 0.11 -0.00 -0.18 -0.70 -2.21 0.00 0.00 174.62 171.64 1rz1 s GLU 23 N -4.00 2.51 -0.37 7.08 2.12 -1.26 -0.76 118.70 124.02 1rz1 s GLU 23 Ca 0.21 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 1rz1 s GLU 23 Cb -0.01 -2.09 0.10 0.00 0.26 0.00 0.00 34.13 32.38 1rz1 s GLU 23 CO 0.09 -0.05 0.12 -1.17 -0.54 0.00 0.00 175.26 173.71 1rz1 s LEU 24 N 0.93 4.89 0.01 2.70 2.96 -0.35 -4.81 118.68 125.01 1rz1 s LEU 24 Ca -0.07 -1.99 -0.34 0.00 -0.22 0.00 0.00 54.13 51.52 1rz1 s LEU 24 Cb -0.15 -1.74 -0.17 0.00 0.50 0.00 0.00 46.19 44.63 1rz1 s LEU 24 CO -0.02 -0.45 0.90 0.59 -1.32 0.00 0.00 176.35 176.05 1rz1 n ASN 25 N 4.47 -0.06 0.00 3.68 5.03 -1.26 -1.75 115.26 125.36 1rz1 n ASN 25 Ca -0.01 1.00 0.00 0.00 0.87 0.00 0.00 54.58 56.43 1rz1 n ASN 25 Cb 0.42 -0.79 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 1rz1 n ASN 25 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rz1 n GLY 26 N 1.31 3.08 2.99 7.41 0.00 -1.26 -5.08 105.19 113.64 1rz1 n GLY 26 Ca 0.17 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.10 0.70 -0.15 4.61 0.00 -0.72 -5.13 121.76 120.97 1rz1 s ALA 27 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 1rz1 s ALA 27 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1rz1 s ALA 27 CO 0.00 0.14 0.37 0.08 0.00 0.00 0.00 175.76 176.35 1rz1 s VAL 28 N 0.02 5.26 -0.03 0.00 1.01 -1.26 -1.21 120.40 124.19 1rz1 s VAL 28 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1rz1 s VAL 28 Cb -0.06 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1rz1 s VAL 28 CO -0.00 0.36 -0.23 -1.00 0.00 0.00 0.00 175.10 174.23 1rz1 s HIS 29 N 0.58 2.08 0.06 5.22 3.76 0.06 -5.00 115.29 122.04 1rz1 s HIS 29 Ca 0.20 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1rz1 s HIS 29 Cb -0.14 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.20 1rz1 s HIS 29 CO 0.07 -0.08 0.02 0.41 -0.85 0.00 0.00 174.74 174.30 1rz1 n GLY 30 N 2.66 4.01 3.34 -2.22 0.00 -1.26 -1.16 105.19 110.56 1rz1 n GLY 30 Ca -0.16 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.66 2.90 -0.02 2.61 2.01 -0.02 -4.93 115.64 116.52 1rz1 s THR 32 Ca 0.02 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 1rz1 s THR 32 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.31 1rz1 s THR 32 CO 0.02 0.52 0.07 0.00 -0.69 0.00 0.00 174.62 174.55 1rz1 s ALA 33 N 0.44 -0.18 -0.28 7.40 0.00 -0.42 -4.88 121.76 123.85 1rz1 s ALA 33 Ca -0.11 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1rz1 s ALA 33 Cb -0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1rz1 s ALA 33 CO 0.05 -0.06 0.33 0.27 0.00 0.00 0.00 175.76 176.36 1rz1 n ASN 34 N 2.83 0.62 -4.29 0.00 6.94 -1.26 -1.37 115.26 118.73 1rz1 n ASN 34 Ca -0.14 -0.81 -0.43 0.00 -0.02 0.00 0.00 54.58 53.18 1rz1 n ASN 34 Cb 0.59 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.60 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 -0.55 4.27 -2.28 -2.53 0.00 -1.26 -4.92 120.51 113.23 1rz1 n ALA 35 Ca 0.01 -4.02 -0.17 0.00 0.00 0.00 0.00 53.44 49.27 1rz1 n ALA 35 Cb 0.07 -3.37 -0.09 0.00 0.00 0.00 0.00 19.45 16.05 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 2.86 1.49 -0.01 0.00 5.36 -1.26 -1.46 117.98 124.95 1rz1 s PHE 36 Ca 0.48 -1.41 -0.21 0.00 -0.96 0.00 0.00 56.93 54.83 1rz1 s PHE 36 Cb 0.05 -0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 41.93 1rz1 s PHE 36 CO 0.02 -0.60 0.60 0.45 -1.46 0.00 0.00 175.22 174.22 1rz1 s SER 38 N -3.30 6.98 -0.05 6.13 0.15 -1.26 -5.02 113.70 117.33 1rz1 s SER 38 Ca 0.38 1.17 -0.08 0.00 0.70 0.00 0.00 55.95 58.11 1rz1 s SER 38 Cb 0.05 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1rz1 s SER 38 CO 0.17 0.09 -0.17 0.52 1.20 0.00 0.00 173.24 175.06 1rz1 n VAL 39 N 2.76 1.17 -4.19 4.45 0.31 -0.67 -4.90 118.33 117.27 1rz1 n VAL 39 Ca -0.07 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 1rz1 n VAL 39 Cb 0.51 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.41 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 -5.71 0.97 -0.19 4.52 0.15 -0.86 -4.97 113.70 107.61 1rz1 s SER 40 Ca -0.14 -0.34 -0.20 0.00 0.70 0.00 0.00 55.95 55.97 1rz1 s SER 40 Cb 0.02 -0.04 -0.17 0.00 -1.71 0.00 0.00 66.02 64.11 1rz1 s SER 40 CO 0.20 -0.03 0.24 0.25 1.20 0.00 0.00 173.24 175.10 1rz1 h LEU 41 N 5.24 0.00 -7.64 3.45 5.85 -1.95 0.12 115.31 120.38 1rz1 h LEU 41 Ca -0.33 -0.50 -0.64 0.00 0.84 0.00 0.00 57.88 57.25 1rz1 h LEU 41 Cb 1.19 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.83 1rz1 h LEU 41 CO 0.45 1.30 -0.76 0.20 -0.34 0.00 0.00 178.44 179.29 1rz1 s ASN 42 N -6.58 4.35 0.92 1.25 0.01 -1.26 -2.62 114.94 111.01 1rz1 s ASN 42 Ca -0.25 -1.65 -0.14 0.00 -0.71 0.00 0.00 52.86 50.11 1rz1 s ASN 42 Cb 0.04 -1.38 0.15 0.00 0.41 0.00 0.00 41.25 40.47 1rz1 s ASN 42 CO 0.54 -0.30 1.21 -2.16 -1.51 0.00 0.00 177.10 174.87 1rz1 s PRO 43 N 1.18 1.05 -0.85 -0.60 0.04 -1.26 -5.05 135.00 129.51 1rz1 s PRO 43 Ca 0.02 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 60.78 1rz1 s PRO 43 Cb -0.19 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1rz1 s PRO 43 CO -0.09 -2.20 1.44 0.15 0.04 0.00 0.00 177.00 176.34 1rz1 s LYS 44 N -5.59 3.25 0.15 4.56 1.02 -1.08 -4.51 119.74 117.55 1rz1 s LYS 44 Ca 0.67 -0.52 0.11 0.00 0.02 0.00 0.00 55.97 56.25 1rz1 s LYS 44 Cb -0.10 -4.72 -0.04 0.00 -0.52 0.00 0.00 37.83 32.46 1rz1 s LYS 44 CO 0.52 -2.31 -0.25 -0.51 -0.92 0.00 0.00 175.35 171.88 1rz1 s LEU 45 N 6.02 2.39 0.06 3.17 1.43 0.03 -1.04 118.68 130.75 1rz1 s LEU 45 Ca 0.44 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1rz1 s LEU 45 Cb -0.05 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1rz1 s LEU 45 CO 0.05 0.16 -0.04 0.54 0.23 0.00 0.00 176.35 177.28 1rz1 s VAL 46 N -1.26 0.38 0.01 -1.59 0.11 0.34 -1.66 120.40 116.73 1rz1 s VAL 46 Ca 0.16 -1.81 0.02 0.00 -2.93 0.00 0.00 61.98 57.43 1rz1 s VAL 46 Cb -0.09 -1.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.23 1rz1 s VAL 46 CO 0.08 -0.93 -0.08 -0.22 -3.33 0.00 0.00 175.10 170.62 1rz1 s LEU 47 N -2.88 2.08 0.10 2.54 0.20 -1.26 -0.19 118.68 119.26 1rz1 s LEU 47 Ca 0.07 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.72 1rz1 s LEU 47 Cb 0.06 -0.35 -0.03 0.00 -0.43 0.00 0.00 46.19 45.44 1rz1 s LEU 47 CO -0.08 0.03 -0.16 0.54 -0.29 0.00 0.00 176.35 176.39 1rz1 s VAL 48 N -0.46 1.37 -0.17 1.68 0.11 -0.89 -4.37 120.40 117.67 1rz1 s VAL 48 Ca 0.00 -1.56 0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1rz1 s VAL 48 Cb -0.05 -1.40 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1rz1 s VAL 48 CO 0.00 -0.27 -0.20 -0.55 -3.33 0.00 0.00 175.10 170.75 1rz1 s SER 49 N -2.12 3.06 -0.05 3.54 0.15 -0.54 -0.85 113.70 116.89 1rz1 s SER 49 Ca 0.05 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1rz1 s SER 49 Cb -0.08 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.79 1rz1 s SER 49 CO 0.03 0.01 -0.25 -0.63 1.20 0.00 0.00 173.24 173.60 1rz1 s ILE 50 N 1.21 2.05 0.40 6.45 1.01 -0.07 -4.80 121.20 127.46 1rz1 s ILE 50 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 1rz1 s ILE 50 Cb -0.14 -1.73 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 1rz1 s ILE 50 CO -0.10 0.57 1.18 -0.83 0.00 0.00 0.00 174.94 175.75 1rz1 s GLY 51 N -0.19 2.87 0.51 6.18 0.00 -1.26 -0.58 107.32 114.84 1rz1 s GLY 51 Ca -0.03 0.98 0.22 0.00 0.00 0.00 0.00 44.72 45.90 1rz1 s GLY 51 CO 0.03 1.50 2.00 1.05 0.00 0.00 0.00 173.10 177.68 1rz1 h GLU 52 N 2.62 0.08 -0.21 2.90 4.11 -1.43 -0.69 114.58 121.96 1rz1 h GLU 52 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1rz1 h GLU 52 Cb 1.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rz1 h GLU 52 CO 0.62 0.05 0.00 1.63 0.07 0.00 0.00 179.01 181.39 1rz1 n LYS 53 N -4.41 1.89 -2.96 1.06 5.02 -1.26 -4.92 118.16 112.58 1rz1 n LYS 53 Ca 0.09 -1.34 -0.41 0.00 -2.02 0.00 0.00 58.31 54.63 1rz1 n LYS 53 Cb 0.52 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.73 3.46 0.00 7.82 0.00 -0.27 -5.03 121.76 126.01 1rz1 s ALA 54 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1rz1 s ALA 54 Cb 0.18 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1rz1 s ALA 54 CO 0.27 -0.47 0.00 1.63 0.00 0.00 0.00 175.76 177.19 1rz1 n LYS 55 N 4.76 0.00 0.00 0.00 5.02 -1.26 -4.18 118.16 122.50 1rz1 n LYS 55 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1rz1 n LYS 55 Cb 0.50 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 1.27 0.00 -0.18 -0.35 0.00 -1.26 -3.17 117.00 113.30 1rz1 n LEU 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1rz1 n LEU 57 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 43.42 43.67 1rz1 n LEU 57 CO 0.00 0.00 1.18 1.05 0.00 0.00 0.00 177.39 179.62 1rz1 h GLU 58 N 0.00 0.92 -0.84 1.96 9.09 -1.95 -1.56 114.58 122.20 1rz1 h GLU 58 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1rz1 h GLU 58 Cb 0.00 -0.19 -0.04 0.00 -1.65 0.00 0.00 28.75 26.87 1rz1 h GLU 58 CO 0.00 0.65 0.54 0.87 0.05 0.00 0.00 179.01 181.12 1rz1 h LYS 59 N 0.93 1.11 -0.07 1.06 1.79 -1.89 -0.85 116.57 118.65 1rz1 h LYS 59 Ca 0.24 -0.08 -0.22 0.00 -2.18 0.00 0.00 60.65 58.41 1rz1 h LYS 59 Cb -0.02 -0.25 0.01 0.00 -1.58 0.00 0.00 32.23 30.39 1rz1 h LYS 59 CO -0.04 0.75 -0.86 0.82 -1.08 0.00 0.00 179.45 179.04 1rz1 h ILE 60 N 1.14 1.33 -0.80 1.86 2.04 -1.79 -1.79 117.51 119.49 1rz1 h ILE 60 Ca 0.30 -2.16 0.09 0.00 1.00 0.00 0.00 64.86 64.09 1rz1 h ILE 60 Cb -0.11 2.18 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 1rz1 h ILE 60 CO -0.06 0.67 0.45 1.56 0.00 0.00 0.00 178.15 180.76 1rz1 h GLN 61 N 0.39 0.74 0.32 2.37 4.20 -0.84 0.17 115.11 122.45 1rz1 h GLN 61 Ca -0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1rz1 h GLN 61 Cb 1.48 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1rz1 h GLN 61 CO 0.16 0.49 -0.15 1.96 -0.67 0.00 0.00 178.83 180.62 1rz1 h GLN 62 N 0.76 -0.41 0.00 1.46 4.20 -1.20 -3.34 115.11 116.58 1rz1 h GLN 62 Ca 0.38 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.09 1rz1 h GLN 62 Cb 0.35 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1rz1 h GLN 62 CO -0.25 -0.11 -0.17 0.66 -0.67 0.00 0.00 178.83 178.29 1rz1 h SER 63 N -0.99 0.00 -1.26 1.46 4.64 -1.27 -3.46 113.55 112.68 1rz1 h SER 63 Ca -0.04 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.89 1rz1 h SER 63 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.44 1rz1 h SER 63 CO 0.07 0.17 -0.36 0.29 -0.87 0.00 0.00 176.83 176.13 1rz1 n LYS 64 N -3.72 -1.45 -3.90 4.77 4.76 0.59 -4.96 118.16 114.26 1rz1 n LYS 64 Ca -0.02 1.11 -0.09 0.00 -2.87 0.00 0.00 58.31 56.44 1rz1 n LYS 64 Cb 0.28 -5.48 -0.08 0.00 -1.84 0.00 0.00 35.03 27.91 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 -3.72 0.86 -0.03 1.97 -2.85 -1.26 -0.66 119.74 114.05 1rz1 s LYS 65 Ca 0.00 -1.02 -0.30 0.00 -1.00 0.00 0.00 55.97 53.65 1rz1 s LYS 65 Cb 0.00 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 36.18 1rz1 s LYS 65 CO 0.00 -0.27 0.73 1.52 0.10 0.00 0.00 175.35 177.43 1rz1 s TYR 66 N -3.89 -0.58 0.18 1.78 -0.85 -0.81 -4.77 117.35 108.42 1rz1 s TYR 66 Ca 0.07 0.88 0.08 0.00 -0.52 0.00 0.00 57.07 57.58 1rz1 s TYR 66 Cb 0.05 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1rz1 s TYR 66 CO -0.09 -0.60 -0.02 0.00 -1.52 0.00 0.00 175.55 173.32 1rz1 s ALA 67 N -1.66 3.15 -0.23 9.51 0.00 0.70 -0.58 121.76 132.65 1rz1 s ALA 67 Ca -0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1rz1 s ALA 67 Cb -0.00 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1rz1 s ALA 67 CO 0.04 0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.28 1rz1 s VAL 68 N -1.77 3.03 -0.39 0.00 1.01 0.92 -0.69 120.40 122.50 1rz1 s VAL 68 Ca 0.27 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1rz1 s VAL 68 Cb -0.09 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.88 1rz1 s VAL 68 CO 0.18 0.30 0.23 0.20 0.00 0.00 0.00 175.10 176.01 1rz1 s ASN 69 N 1.39 5.68 -0.06 3.32 0.01 0.90 -1.68 114.94 124.49 1rz1 s ASN 69 Ca 0.03 -1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 50.65 1rz1 s ASN 69 Cb -0.15 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 1rz1 s ASN 69 CO -0.05 -0.45 1.10 -0.63 -1.51 0.00 0.00 177.10 175.56 1rz1 s ILE 70 N 1.50 4.53 0.13 0.60 1.01 -0.33 -0.41 121.20 128.22 1rz1 s ILE 70 Ca 0.02 1.82 -0.20 0.00 0.00 0.00 0.00 60.65 62.29 1rz1 s ILE 70 Cb -0.21 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 1rz1 s ILE 70 CO 0.05 0.02 0.63 -0.76 0.00 0.00 0.00 174.94 174.88 1rz1 s LEU 71 N 1.94 4.48 0.63 2.97 1.43 0.08 0.04 118.68 130.26 1rz1 s LEU 71 Ca 0.52 1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1rz1 s LEU 71 Cb -0.22 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1rz1 s LEU 71 CO 0.21 0.20 0.97 -0.94 0.23 0.00 0.00 176.35 177.02 1rz1 s SER 72 N -1.30 5.49 0.47 2.29 1.04 -1.26 -2.22 113.70 118.21 1rz1 s SER 72 Ca 0.34 0.82 0.29 0.00 0.48 0.00 0.00 55.95 57.89 1rz1 s SER 72 Cb -0.19 -1.73 1.37 0.00 0.10 0.00 0.00 66.02 65.57 1rz1 s SER 72 CO 0.21 -1.19 1.74 -0.61 0.98 0.00 0.00 173.24 174.37 1rz1 h GLN 73 N -0.35 0.16 -0.34 4.02 4.15 -0.93 -1.66 115.11 120.16 1rz1 h GLN 73 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1rz1 h GLN 73 Cb 1.26 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1rz1 h GLN 73 CO 0.62 0.11 0.00 -0.25 -1.93 0.00 0.00 178.83 177.37 1rz1 n ASP 74 N -4.43 1.35 -0.61 -0.69 8.00 -1.26 -4.26 116.55 114.65 1rz1 n ASP 74 Ca 0.29 -2.05 0.06 0.00 0.71 0.00 0.00 54.79 53.80 1rz1 n ASP 74 Cb 1.20 -0.22 0.14 0.00 -0.02 0.00 0.00 41.12 42.22 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 0.13 1.12 -0.31 -1.24 6.02 -0.62 -4.76 117.38 117.73 1rz1 n GLN 75 Ca 0.07 -2.73 0.09 0.00 -0.01 0.00 0.00 57.00 54.42 1rz1 n GLN 75 Cb 0.24 -1.23 0.30 0.00 1.02 0.00 0.00 30.24 30.57 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 0.68 0.84 -0.34 -1.09 3.64 -1.76 -1.57 116.57 116.96 1rz1 h LYS 76 Ca -0.04 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1rz1 h LYS 76 Cb 1.18 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1rz1 h LYS 76 CO 0.02 0.56 -0.08 0.28 -2.27 0.00 0.00 179.45 177.95 1rz1 h VAL 77 N 0.86 1.23 -0.61 2.00 2.07 -1.95 -2.69 116.25 117.16 1rz1 h VAL 77 Ca 0.45 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1rz1 h VAL 77 Cb 0.53 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1rz1 h VAL 77 CO -0.22 0.33 0.05 -0.07 0.02 0.00 0.00 177.57 177.69 1rz1 h LEU 78 N 0.53 1.01 -0.93 2.57 3.38 -1.67 0.07 115.31 120.27 1rz1 h LEU 78 Ca 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rz1 h LEU 78 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rz1 h LEU 78 CO 0.02 1.04 0.00 -0.24 0.09 0.00 0.00 178.44 179.36 1rz1 n SER 79 N -4.24 0.00 0.00 -0.43 2.88 -0.87 -1.33 113.62 109.64 1rz1 n SER 79 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1rz1 n SER 79 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.42 0.00 -0.24 -3.46 5.15 0.01 -2.08 115.26 115.05 1rz1 n ASN 81 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1rz1 n ASN 81 Cb 0.00 0.00 0.45 0.00 -0.53 0.00 0.00 39.78 39.70 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 0.10 0.38 1.20 3.72 -0.44 -2.42 117.46 120.00 1rz1 n PHE 82 Ca 0.00 -0.05 0.10 0.00 -0.05 0.00 0.00 57.45 57.45 1rz1 n PHE 82 Cb 0.00 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.30 2.41 -2.11 4.37 0.00 -0.89 -0.84 120.51 123.15 1rz1 n ALA 83 Ca 0.14 -0.90 -0.09 0.00 0.00 0.00 0.00 53.44 52.59 1rz1 n ALA 83 Cb 0.17 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 1.22 0.07 0.68 0.00 0.00 -1.02 -4.92 105.19 101.22 1rz1 n GLY 84 Ca 0.15 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.68 -4.40 1.61 6.02 -1.26 -4.90 117.38 114.19 1rz1 n GLN 85 Ca -0.11 -1.43 -0.34 0.00 -0.01 0.00 0.00 57.00 55.10 1rz1 n GLN 85 Cb 0.56 -1.38 -0.11 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.84 3.42 0.22 1.08 1.43 -1.26 -4.98 118.68 116.75 1rz1 s LEU 86 Ca 0.21 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1rz1 s LEU 86 Cb 0.16 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.76 1rz1 s LEU 86 CO 0.32 0.29 1.88 -0.33 0.23 0.00 0.00 176.35 178.74 1rz1 h GLU 87 N 5.80 1.09 -5.14 1.70 4.39 -2.00 -3.41 114.58 117.01 1rz1 h GLU 87 Ca -0.43 -0.08 -0.66 0.00 0.34 0.00 0.00 59.36 58.53 1rz1 h GLU 87 Cb 1.19 -0.24 -0.30 0.00 -0.10 0.00 0.00 28.75 29.30 1rz1 h GLU 87 CO 0.58 0.74 -0.78 0.21 -1.16 0.00 0.00 179.01 178.60 1rz1 s LYS 88 N -6.06 3.27 0.51 2.33 2.20 -1.26 -5.10 119.74 115.63 1rz1 s LYS 88 Ca -0.13 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.54 1rz1 s LYS 88 Cb 0.16 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 1rz1 s LYS 88 CO 0.80 -0.04 1.34 -2.14 -0.36 0.00 0.00 175.35 174.94 1rz1 s PRO 89 N 0.99 3.38 0.42 4.03 0.02 -1.26 -5.01 135.00 137.56 1rz1 s PRO 89 Ca -0.01 2.20 -0.07 0.00 0.02 0.00 0.00 61.00 63.14 1rz1 s PRO 89 Cb -0.15 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 31.94 1rz1 s PRO 89 CO -0.02 -0.99 0.73 0.14 -0.33 0.00 0.00 177.00 176.53 1rz1 s VAL 90 N -1.32 4.90 -0.69 3.83 -7.23 -1.26 -5.01 120.40 113.61 1rz1 s VAL 90 Ca 0.68 0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 60.87 1rz1 s VAL 90 Cb -0.39 -3.80 0.04 0.00 0.56 0.00 0.00 36.38 32.79 1rz1 s VAL 90 CO 0.47 -0.65 1.15 -0.62 -0.31 0.00 0.00 175.10 175.15 1rz1 s ASP 91 N -3.65 6.19 0.03 4.85 2.15 -1.26 -5.00 116.67 119.98 1rz1 s ASP 91 Ca 0.48 -0.61 -0.22 0.00 0.43 0.00 0.00 52.55 52.63 1rz1 s ASP 91 Cb -0.10 -2.50 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1rz1 s ASP 91 CO 0.38 -1.65 0.66 -0.69 -0.17 0.00 0.00 175.17 173.69 1rz1 s VAL 92 N 5.03 4.80 -0.47 1.11 1.01 -1.26 -5.03 120.40 125.59 1rz1 s VAL 92 Ca 0.31 1.39 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 1rz1 s VAL 92 Cb -0.11 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1rz1 s VAL 92 CO 0.14 0.42 0.90 -1.10 0.00 0.00 0.00 175.10 175.47 1rz1 s GLN 93 N -0.31 3.49 0.05 2.72 -1.52 -1.26 -5.05 119.66 117.77 1rz1 s GLN 93 Ca 0.33 0.08 -0.01 0.00 -1.95 0.00 0.00 55.36 53.81 1rz1 s GLN 93 Cb -0.19 -3.94 -0.04 0.00 -0.22 0.00 0.00 33.01 28.62 1rz1 s GLN 93 CO 0.20 -1.22 0.22 -0.06 -0.25 0.00 0.00 175.29 174.17 1rz1 s PHE 94 N 3.69 3.53 0.00 0.91 0.40 -1.26 -2.19 117.98 123.06 1rz1 s PHE 94 Ca 0.35 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1rz1 s PHE 94 Cb -0.11 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1rz1 s PHE 94 CO 0.25 0.60 0.00 -0.85 0.70 0.00 0.00 175.22 175.92 1rz1 n GLU 95 N 0.48 2.24 -4.28 0.44 0.28 -0.02 -4.85 120.64 114.94 1rz1 n GLU 95 Ca -0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.76 1rz1 n GLU 95 Cb 0.52 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.25 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 0.80 0.66 -0.24 3.44 2.12 -1.26 -0.95 118.70 123.26 1rz1 s GLU 96 Ca 0.00 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.83 1rz1 s GLU 96 Cb 0.00 -0.61 0.10 0.00 0.26 0.00 0.00 34.13 33.87 1rz1 s GLU 96 CO 0.00 0.16 0.55 -1.17 -0.54 0.00 0.00 175.26 174.26 1rz1 s LEU 97 N -0.48 -0.80 -1.30 2.70 2.96 -0.34 -4.88 118.68 116.53 1rz1 s LEU 97 Ca 0.01 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1rz1 s LEU 97 Cb -0.05 1.87 0.02 0.00 0.50 0.00 0.00 46.19 48.54 1rz1 s LEU 97 CO -0.00 -0.22 0.26 0.61 -1.32 0.00 0.00 176.35 175.68 1rz1 n GLY 98 N 5.06 -0.50 2.29 7.98 0.00 -1.26 -0.99 105.19 117.77 1rz1 n GLY 98 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.08 0.68 3.63 -0.02 0.00 -1.26 -4.97 105.19 102.18 1rz1 n GLY 99 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 3.29 0.10 0.99 1.43 -0.17 -4.95 118.68 119.38 1rz1 s LEU 100 Ca 0.00 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.62 1rz1 s LEU 100 Cb 0.00 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1rz1 s LEU 100 CO 0.00 0.23 1.28 -2.16 0.23 0.00 0.00 176.35 175.93 1rz1 s PRO 101 N -1.84 4.40 0.24 1.29 0.04 -1.26 -1.20 135.00 136.66 1rz1 s PRO 101 Ca 0.21 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.23 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 0.12 -0.30 -0.08 0.14 0.04 0.00 0.00 177.00 176.92 1rz1 s VAL 102 N 0.88 1.57 -0.17 -0.36 -7.23 -0.12 -4.70 120.40 110.27 1rz1 s VAL 102 Ca 0.60 -2.14 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1rz1 s VAL 102 Cb -0.33 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1rz1 s VAL 102 CO 0.31 -0.42 0.53 -0.63 -0.31 0.00 0.00 175.10 174.58 1rz1 s ILE 103 N -3.07 5.12 0.29 -0.62 1.01 -1.26 -0.84 121.20 121.83 1rz1 s ILE 103 Ca 0.26 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.61 1rz1 s ILE 103 Cb 0.02 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1rz1 s ILE 103 CO 0.09 0.21 1.61 -0.75 0.00 0.00 0.00 174.94 176.10 1rz1 s LYS 104 N 1.38 4.11 -0.12 2.79 2.20 -0.93 -2.47 119.74 126.70 1rz1 s LYS 104 Ca 0.26 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 1rz1 s LYS 104 Cb -0.15 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1rz1 s LYS 104 CO 0.10 -0.65 0.00 -0.25 -0.36 0.00 0.00 175.35 174.19 1rz1 n ASP 105 N 2.28 -4.28 -4.59 1.43 8.00 -1.26 -4.99 116.55 113.14 1rz1 n ASP 105 Ca 0.09 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 1rz1 n ASP 105 Cb 0.37 -1.88 0.08 0.00 -0.02 0.00 0.00 41.12 39.67 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 1.02 -0.36 -0.37 2.24 0.00 -1.03 -4.71 120.51 117.30 1rz1 n ALA 106 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1rz1 n ALA 106 Cb 0.23 -2.07 0.17 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.14 1.05 -7.22 0.00 5.85 -0.65 -3.44 115.31 110.76 1rz1 h LEU 107 Ca -0.47 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1rz1 h LEU 107 Cb 1.34 -0.23 -0.20 0.00 0.37 0.00 0.00 40.66 41.94 1rz1 h LEU 107 CO 0.47 0.69 -0.03 0.00 -0.34 0.00 0.00 178.44 179.23 1rz1 s ALA 108 N -6.04 -1.33 -0.06 1.25 0.00 -1.13 -1.23 121.76 113.22 1rz1 s ALA 108 Ca -0.12 1.02 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1rz1 s ALA 108 Cb 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1rz1 s ALA 108 CO 0.81 -0.31 -0.11 -0.65 0.00 0.00 0.00 175.76 175.51 1rz1 s GLN 109 N -0.91 1.47 -0.11 0.00 -0.21 0.55 -1.19 119.66 119.27 1rz1 s GLN 109 Ca -0.09 -0.36 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 1rz1 s GLN 109 Cb -0.03 -1.26 0.04 0.00 1.00 0.00 0.00 33.01 32.76 1rz1 s GLN 109 CO 0.06 0.03 0.02 0.42 -2.12 0.00 0.00 175.29 173.69 1rz1 s ILE 110 N 0.63 0.38 -0.09 1.08 1.01 -0.68 -0.82 121.20 122.71 1rz1 s ILE 110 Ca -0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 1rz1 s ILE 110 Cb -0.15 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1rz1 s ILE 110 CO 0.03 0.11 0.25 -0.44 0.00 0.00 0.00 174.94 174.89 1rz1 s SER 111 N 1.96 6.53 0.05 3.58 0.01 -0.50 -0.06 113.70 125.27 1rz1 s SER 111 Ca 0.03 0.63 0.03 0.00 1.31 0.00 0.00 55.95 57.95 1rz1 s SER 111 Cb -0.14 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1rz1 s SER 111 CO -0.06 0.32 -0.09 0.00 0.41 0.00 0.00 173.24 173.83 1rz1 s GLN 113 N -1.63 3.80 -0.02 0.00 -1.52 -0.02 -1.92 119.66 118.34 1rz1 s GLN 113 Ca -0.08 -0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 1rz1 s GLN 113 Cb -0.10 -3.10 -0.06 0.00 -0.22 0.00 0.00 33.01 29.53 1rz1 s GLN 113 CO 0.01 0.32 1.59 0.08 -0.25 0.00 0.00 175.29 177.04 1rz1 s VAL 114 N 0.20 3.52 -0.27 1.09 1.01 0.16 -0.57 120.40 125.55 1rz1 s VAL 114 Ca 0.03 0.77 0.10 0.00 0.00 0.00 0.00 61.98 62.87 1rz1 s VAL 114 Cb -0.13 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1rz1 s VAL 114 CO 0.01 -0.04 0.33 1.33 0.00 0.00 0.00 175.10 176.73 1rz1 n VAL 115 N 5.15 0.00 -3.63 2.92 0.24 -0.57 -4.92 118.33 117.51 1rz1 n VAL 115 Ca 0.16 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1rz1 n VAL 115 Cb 0.42 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.44 -0.36 -0.11 -1.34 3.04 -1.20 -5.03 114.94 107.51 1rz1 s ASN 116 Ca 0.01 0.12 -0.03 0.00 0.04 0.00 0.00 52.86 52.99 1rz1 s ASN 116 Cb 0.07 0.44 0.05 0.00 -1.54 0.00 0.00 41.25 40.27 1rz1 s ASN 116 CO 0.40 -0.66 0.10 -0.70 -3.04 0.00 0.00 177.10 173.21 1rz1 s GLU 117 N -2.25 0.01 -0.15 0.43 2.12 -1.26 -1.72 118.70 115.88 1rz1 s GLU 117 Ca -0.07 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1rz1 s GLU 117 Cb -0.01 -1.00 0.02 0.00 0.26 0.00 0.00 34.13 33.41 1rz1 s GLU 117 CO -0.01 -0.47 -0.13 0.08 -0.54 0.00 0.00 175.26 174.19 1rz1 s VAL 118 N 2.19 1.50 0.25 3.70 1.01 -0.30 -4.96 120.40 123.79 1rz1 s VAL 118 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1rz1 s VAL 118 Cb -0.14 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1rz1 s VAL 118 CO -0.06 0.42 1.05 -1.58 0.00 0.00 0.00 175.10 174.92 1rz1 s GLN 119 N 1.51 4.70 -0.32 2.72 0.74 -1.26 -0.35 119.66 127.40 1rz1 s GLN 119 Ca 0.04 1.70 0.00 0.00 0.05 0.00 0.00 55.36 57.16 1rz1 s GLN 119 Cb -0.13 -3.23 0.14 0.00 1.10 0.00 0.00 33.01 30.89 1rz1 s GLN 119 CO -0.10 0.29 0.30 0.00 -0.55 0.00 0.00 175.29 175.23 1rz1 s ALA 120 N -1.05 -0.25 0.00 1.58 0.00 0.47 -4.92 121.76 117.58 1rz1 s ALA 120 Ca 0.44 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1rz1 s ALA 120 Cb -0.30 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1rz1 s ALA 120 CO 0.38 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.67 1rz1 n GLY 121 N 4.85 3.26 0.01 0.00 0.00 -1.26 -1.94 105.19 110.12 1rz1 n GLY 121 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 4.15 0.02 -4.04 1.61 10.43 -1.26 -4.84 116.55 122.62 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 -0.09 0.00 1.84 0.00 0.00 41.12 42.46 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 -2.83 0.51 -0.06 1.24 3.76 -0.82 -1.05 115.29 116.04 1rz1 s HIS 123 Ca -0.00 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1rz1 s HIS 123 Cb 0.00 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.36 1rz1 s HIS 123 CO 0.01 -0.47 -0.23 0.99 -0.85 0.00 0.00 174.74 174.19 1rz1 s THR 124 N -3.94 2.26 -0.25 1.30 2.01 0.25 -0.39 115.64 116.88 1rz1 s THR 124 Ca 0.11 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 1rz1 s THR 124 Cb 0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1rz1 s THR 124 CO -0.07 0.57 0.38 -0.76 -0.69 0.00 0.00 174.62 174.05 1rz1 s LEU 125 N -0.22 4.07 -0.41 4.42 1.43 0.53 -0.89 118.68 127.60 1rz1 s LEU 125 Ca -0.01 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1rz1 s LEU 125 Cb -0.13 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.71 1rz1 s LEU 125 CO 0.03 -0.15 0.25 -0.36 0.23 0.00 0.00 176.35 176.35 1rz1 s PHE 126 N 1.84 3.34 0.13 0.29 0.08 -0.03 -1.16 117.98 122.47 1rz1 s PHE 126 Ca 0.16 -1.53 -0.30 0.00 0.12 0.00 0.00 56.93 55.38 1rz1 s PHE 126 Cb -0.15 -2.92 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 1rz1 s PHE 126 CO 0.09 -0.84 1.04 0.42 -0.10 0.00 0.00 175.22 175.83 1rz1 s ILE 127 N 1.42 4.21 -0.01 0.64 1.01 -0.70 -2.09 121.20 125.68 1rz1 s ILE 127 Ca 0.03 1.82 0.04 0.00 0.00 0.00 0.00 60.65 62.54 1rz1 s ILE 127 Cb -0.23 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1rz1 s ILE 127 CO 0.02 0.28 -0.12 -0.83 0.00 0.00 0.00 174.94 174.29 1rz1 s GLY 128 N 0.09 0.59 -0.11 6.18 0.00 0.73 -1.52 107.32 113.28 1rz1 s GLY 128 Ca 0.49 -0.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 1rz1 s GLY 128 CO 0.32 -0.40 0.44 1.85 0.00 0.00 0.00 173.10 175.31 1rz1 s GLU 129 N -0.24 4.29 -0.14 2.90 2.12 0.27 -0.51 118.70 127.40 1rz1 s GLU 129 Ca 0.04 0.39 -0.27 0.00 0.36 0.00 0.00 54.97 55.49 1rz1 s GLU 129 Cb -0.05 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1rz1 s GLU 129 CO -0.00 0.22 0.90 0.08 -0.54 0.00 0.00 175.26 175.91 1rz1 s VAL 130 N 0.45 4.85 -0.17 3.70 1.01 -0.21 -0.84 120.40 129.20 1rz1 s VAL 130 Ca 0.24 1.79 0.14 0.00 0.00 0.00 0.00 61.98 64.16 1rz1 s VAL 130 Cb -0.15 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 31.82 1rz1 s VAL 130 CO 0.10 0.03 0.05 0.35 0.00 0.00 0.00 175.10 175.62 1rz1 n THR 131 N 4.60 1.15 -3.80 3.92 -2.24 -0.13 -4.90 114.28 112.88 1rz1 n THR 131 Ca 0.06 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1rz1 n THR 131 Cb 0.49 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.03 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 -5.11 -0.14 -0.00 3.42 1.01 -1.22 -5.02 116.67 109.61 1rz1 s ASP 132 Ca -0.09 0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1rz1 s ASP 132 Cb 0.05 0.34 -0.00 0.00 1.01 0.00 0.00 42.92 44.32 1rz1 s ASP 132 CO 0.68 -0.33 -0.03 -0.63 0.21 0.00 0.00 175.17 175.07 1rz1 s ILE 133 N -0.96 0.21 -0.02 0.77 1.01 -1.26 -1.41 121.20 119.55 1rz1 s ILE 133 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1rz1 s ILE 133 Cb -0.05 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.24 1rz1 s ILE 133 CO 0.02 0.06 -0.00 -0.75 0.00 0.00 0.00 174.94 174.28 1rz1 s LYS 134 N -0.02 0.17 0.08 2.79 2.20 0.00 -4.99 119.74 119.97 1rz1 s LYS 134 Ca 0.01 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.73 1rz1 s LYS 134 Cb -0.02 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.96 1rz1 s LYS 134 CO -0.00 -0.08 -0.18 0.42 -0.36 0.00 0.00 175.35 175.15 1rz1 s ILE 135 N 0.64 1.50 0.40 5.43 1.01 -1.26 -0.33 121.20 128.59 1rz1 s ILE 135 Ca -0.06 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.23 1rz1 s ILE 135 Cb -0.09 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1rz1 s ILE 135 CO -0.01 -0.07 0.08 0.42 0.00 0.00 0.00 174.94 175.36 1rz1 s THR 136 N -1.12 0.92 -0.38 2.92 -4.23 -0.36 -4.99 115.64 108.40 1rz1 s THR 136 Ca 0.04 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1rz1 s THR 136 Cb -0.10 -2.48 0.68 0.00 1.34 0.00 0.00 72.50 71.94 1rz1 s THR 136 CO 0.03 0.00 1.83 -0.62 -0.54 0.00 0.00 174.62 175.32 1rz1 n GLU 137 N -0.90 2.77 -1.09 3.99 -0.58 -1.26 -4.89 120.64 118.67 1rz1 n GLU 137 Ca -0.07 -3.06 -0.31 0.00 -0.42 0.00 0.00 57.16 53.31 1rz1 n GLU 137 Cb 0.66 -2.15 0.12 0.00 -0.57 0.00 0.00 31.44 29.50 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 -3.18 1.63 0.26 3.49 -0.21 -1.26 -5.03 119.66 115.36 1rz1 s GLN 138 Ca 0.55 1.16 -0.21 0.00 0.02 0.00 0.00 55.36 56.88 1rz1 s GLN 138 Cb 0.46 -1.83 -0.09 0.00 1.00 0.00 0.00 33.01 32.55 1rz1 s GLN 138 CO 0.11 -2.08 0.79 -0.51 -2.12 0.00 0.00 175.29 171.48 1rz1 s ASP 139 N -3.21 7.12 0.27 5.90 1.01 -1.26 -5.00 116.67 121.51 1rz1 s ASP 139 Ca 0.63 1.53 -0.19 0.00 0.71 0.00 0.00 52.55 55.23 1rz1 s ASP 139 Cb -0.19 -2.46 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 1rz1 s ASP 139 CO 0.57 -0.01 0.77 -2.16 0.21 0.00 0.00 175.17 174.55 1rz1 s PRO 140 N -2.05 4.23 0.01 8.23 0.04 -1.26 -0.50 135.00 143.71 1rz1 s PRO 140 Ca 0.46 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 1rz1 s PRO 140 Cb -0.17 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 1rz1 s PRO 140 CO 0.21 0.30 1.47 -1.17 0.04 0.00 0.00 177.00 177.85 1rz1 s LEU 141 N -2.30 4.33 0.22 -3.56 2.96 -0.94 -4.06 118.68 115.33 1rz1 s LEU 141 Ca 0.48 2.20 0.08 0.00 -0.22 0.00 0.00 54.13 56.67 1rz1 s LEU 141 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1rz1 s LEU 141 CO 0.20 -0.77 0.06 -0.76 -1.32 0.00 0.00 176.35 173.75 1rz1 s LEU 142 N 2.56 3.44 -0.05 -0.68 1.43 -0.78 -3.12 118.68 121.49 1rz1 s LEU 142 Ca 0.67 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1rz1 s LEU 142 Cb -0.33 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1rz1 s LEU 142 CO 0.28 0.03 -0.03 0.12 0.23 0.00 0.00 176.35 176.98 1rz1 s PHE 143 N -1.99 0.70 -0.28 0.29 5.36 0.16 -1.24 117.98 120.99 1rz1 s PHE 143 Ca 0.30 -0.19 -0.19 0.00 -0.96 0.00 0.00 56.93 55.90 1rz1 s PHE 143 Cb -0.08 -0.68 0.08 0.00 -0.34 0.00 0.00 43.02 42.00 1rz1 s PHE 143 CO 0.21 -0.22 0.72 0.12 -1.46 0.00 0.00 175.22 174.59 1rz1 s PHE 144 N 1.15 -0.95 -1.62 10.12 5.36 -0.24 -1.85 117.98 129.94 1rz1 s PHE 144 Ca -0.07 2.01 -0.15 0.00 -0.96 0.00 0.00 56.93 57.76 1rz1 s PHE 144 Cb -0.14 0.52 0.12 0.00 -0.34 0.00 0.00 43.02 43.18 1rz1 s PHE 144 CO -0.01 -0.47 0.77 0.43 -1.46 0.00 0.00 175.22 174.48 1rz1 n SER 145 N 3.80 -3.16 0.00 6.13 7.64 0.01 -1.04 113.62 127.00 1rz1 n SER 145 Ca -0.18 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1rz1 n SER 145 Cb 0.58 -3.04 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 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 -1.55 0.53 3.32 0.23 0.00 -1.26 -5.02 105.19 101.45 1rz1 n GLY 146 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.38 1.25 0.20 1.61 1.02 -0.20 -5.13 119.74 118.11 1rz1 s LYS 147 Ca 0.00 -1.41 -0.28 0.00 0.02 0.00 0.00 55.97 54.30 1rz1 s LYS 147 Cb 0.00 -1.26 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 1rz1 s LYS 147 CO 0.00 0.25 0.87 0.71 -0.92 0.00 0.00 175.35 176.26 1rz1 s TYR 148 N -2.17 3.95 0.30 3.18 2.02 -1.26 -1.07 117.35 122.29 1rz1 s TYR 148 Ca 0.16 1.79 0.04 0.00 -0.37 0.00 0.00 57.07 58.68 1rz1 s TYR 148 Cb -0.05 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.59 1rz1 s TYR 148 CO 0.06 0.48 0.27 -1.01 -1.57 0.00 0.00 175.55 173.78 1rz1 s HIS 149 N -1.13 1.51 0.09 2.71 3.76 -0.37 -4.95 115.29 116.91 1rz1 s HIS 149 Ca 0.39 -1.54 0.02 0.00 -0.15 0.00 0.00 55.06 53.78 1rz1 s HIS 149 Cb -0.25 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 1rz1 s HIS 149 CO 0.29 -0.85 -0.07 -0.65 -0.85 0.00 0.00 174.74 172.62 1rz1 s GLN 150 N -3.59 0.81 0.30 1.40 -0.21 -1.26 -1.88 119.66 115.22 1rz1 s GLN 150 Ca 0.39 -1.27 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 1rz1 s GLN 150 Cb 0.03 -0.24 -0.10 0.00 1.00 0.00 0.00 33.01 33.71 1rz1 s GLN 150 CO 0.23 -0.00 1.15 -0.51 -2.12 0.00 0.00 175.29 174.03 1rz1 s LEU 151 N -2.86 4.51 0.23 2.90 1.43 -1.26 -4.99 118.68 118.65 1rz1 s LEU 151 Ca 0.09 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.25 1rz1 s LEU 151 Cb 0.03 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.49 1rz1 s LEU 151 CO -0.04 -0.25 1.69 0.00 0.23 0.00 0.00 176.35 177.98 1rz1 n ALA 152 N 1.06 2.79 0.96 4.21 0.00 -1.26 -5.12 120.51 123.16 1rz1 n ALA 152 Ca -0.01 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.94 1rz1 n ALA 152 Cb 0.44 -2.51 0.10 0.00 0.00 0.00 0.00 19.45 17.48 1rz1 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54