#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 0.98 -0.43 1.67 3.45 -2.05 -2.49 116.42 117.55 1rz0 h ASP 3 Ca 0.00 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1rz0 h ASP 3 Cb 0.00 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 1rz0 h ASP 3 CO 0.00 0.68 0.19 -0.09 -1.57 0.00 0.00 179.24 178.46 1rz0 h ARG 4 N 1.14 0.63 -0.53 3.56 2.43 -2.05 -0.71 114.38 118.85 1rz0 h ARG 4 Ca 0.35 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1rz0 h ARG 4 Cb -0.01 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1rz0 h ARG 4 CO -0.10 0.55 0.15 1.25 -1.51 0.00 0.00 179.97 180.32 1rz0 h LEU 5 N 0.55 0.79 0.08 3.80 5.85 -1.94 0.18 115.31 124.61 1rz0 h LEU 5 Ca 0.15 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1rz0 h LEU 5 Cb 0.14 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1rz0 h LEU 5 CO -0.02 0.80 -0.13 0.15 -0.34 0.00 0.00 178.44 178.90 1rz0 h PHE 6 N 0.74 -0.32 -0.74 1.25 3.57 -1.24 -0.80 116.94 119.39 1rz0 h PHE 6 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1rz0 h PHE 6 Cb 0.30 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1rz0 h PHE 6 CO 0.02 -0.19 0.34 0.00 -2.23 0.00 0.00 178.31 176.25 1rz0 h ARG 7 N -0.25 1.08 -0.42 1.11 3.08 -0.95 -2.02 114.38 116.00 1rz0 h ARG 7 Ca 0.02 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.94 1rz0 h ARG 7 Cb 0.27 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1rz0 h ARG 7 CO -0.07 0.85 0.21 -0.91 -1.07 0.00 0.00 179.97 178.98 1rz0 h ASN 8 N 1.05 0.30 0.00 7.04 2.35 -0.82 -1.38 115.58 124.11 1rz0 h ASN 8 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1rz0 h ASN 8 Cb 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1rz0 h ASN 8 CO -0.03 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 1rz0 n ALA 9 N -2.29 1.16 0.00 -0.83 0.00 -0.32 -2.77 120.51 115.46 1rz0 n ALA 9 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1rz0 n ALA 9 Cb 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.67 0.00 0.00 0.00 0.00 -0.52 -3.91 105.19 101.43 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 0.18 -3.17 1.61 4.76 -1.12 -0.11 118.16 120.31 1rz0 n LYS 12 Ca 0.00 0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 55.05 1rz0 n LYS 12 Cb 0.00 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.62 1rz0 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz0 s PHE 13 N -2.80 3.07 0.35 2.13 5.36 -1.25 -4.95 117.98 119.89 1rz0 s PHE 13 Ca 0.18 -0.46 -0.28 0.00 -0.96 0.00 0.00 56.93 55.42 1rz0 s PHE 13 Cb 0.17 -3.42 -0.10 0.00 -0.34 0.00 0.00 43.02 39.33 1rz0 s PHE 13 CO 0.44 -0.96 1.33 0.00 -1.46 0.00 0.00 175.22 174.57 1rz0 s ALA 14 N 2.58 3.47 0.21 11.12 0.00 -1.26 -4.84 121.76 133.04 1rz0 s ALA 14 Ca 0.16 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1rz0 s ALA 14 Cb -0.18 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1rz0 s ALA 14 CO 0.13 -0.73 0.09 0.95 0.00 0.00 0.00 175.76 176.20 1rz0 s THR 15 N -1.16 0.35 0.37 0.00 -4.23 -0.06 -4.99 115.64 105.91 1rz0 s THR 15 Ca 0.51 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1rz0 s THR 15 Cb -0.40 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1rz0 s THR 15 CO 0.54 -0.11 0.31 0.61 -0.54 0.00 0.00 174.62 175.42 1rz0 n GLY 16 N -0.33 -2.67 2.95 3.99 0.00 -1.26 -0.63 105.19 107.23 1rz0 n GLY 16 Ca -0.01 -1.44 -0.19 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 -1.55 0.57 0.31 1.61 1.01 -1.18 -4.49 120.40 116.68 1rz0 s VAL 17 Ca 0.21 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1rz0 s VAL 17 Cb -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 1rz0 s VAL 17 CO 0.16 0.19 -0.08 0.42 0.00 0.00 0.00 175.10 175.80 1rz0 s THR 18 N 0.30 1.93 -0.15 3.92 -4.23 -0.23 -0.62 115.64 116.56 1rz0 s THR 18 Ca -0.04 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1rz0 s THR 18 Cb -0.08 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1rz0 s THR 18 CO 0.00 -0.25 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.96 1rz0 s VAL 19 N -2.82 2.45 -0.06 2.29 1.01 -0.28 -0.73 120.40 122.26 1rz0 s VAL 19 Ca 0.31 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1rz0 s VAL 19 Cb 0.03 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1rz0 s VAL 19 CO 0.14 0.53 0.67 -0.63 0.00 0.00 0.00 175.10 175.81 1rz0 s ILE 20 N 0.81 5.05 0.16 2.22 -1.09 -1.26 -0.72 121.20 126.37 1rz0 s ILE 20 Ca -0.06 1.39 0.10 0.00 -2.23 0.00 0.00 60.65 59.85 1rz0 s ILE 20 Cb -0.15 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1rz0 s ILE 20 CO -0.01 0.27 -0.23 0.42 -1.23 0.00 0.00 174.94 174.16 1rz0 s THR 21 N 0.70 2.14 0.28 2.92 -4.23 -0.31 -4.13 115.64 113.01 1rz0 s THR 21 Ca 0.36 -1.87 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1rz0 s THR 21 Cb -0.18 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1rz0 s THR 21 CO 0.17 -0.09 0.51 0.28 -0.54 0.00 0.00 174.62 174.96 1rz0 s THR 22 N -1.49 0.00 -0.05 3.99 -1.32 -0.01 -1.22 115.64 115.53 1rz0 s THR 22 Ca 0.16 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.27 1rz0 s THR 22 Cb -0.08 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1rz0 s THR 22 CO 0.07 0.00 -0.13 -0.70 -2.21 0.00 0.00 174.62 171.66 1rz0 s GLU 23 N -3.71 1.59 -0.22 7.08 2.12 -1.26 -0.63 118.70 123.67 1rz0 s GLU 23 Ca 0.23 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 1rz0 s GLU 23 Cb -0.01 -1.35 0.07 0.00 0.26 0.00 0.00 34.13 33.10 1rz0 s GLU 23 CO 0.11 0.09 0.04 -1.17 -0.54 0.00 0.00 175.26 173.79 1rz0 s LEU 24 N 0.44 1.53 -1.13 2.70 2.96 -0.14 -4.81 118.68 120.21 1rz0 s LEU 24 Ca -0.10 -1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 52.56 1rz0 s LEU 24 Cb -0.14 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.85 1rz0 s LEU 24 CO 0.03 -0.32 0.76 0.59 -1.32 0.00 0.00 176.35 176.09 1rz0 n ASN 25 N 4.97 -5.08 0.00 3.68 3.02 -1.26 -2.28 115.26 118.31 1rz0 n ASN 25 Ca -0.08 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1rz0 n ASN 25 Cb 0.46 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.72 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 -1.79 1.96 3.72 7.41 0.00 -1.26 -5.01 105.19 110.22 1rz0 n GLY 26 Ca -0.10 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.35 3.25 -0.10 4.61 0.00 -0.97 -5.03 121.76 123.18 1rz0 s ALA 27 Ca 0.00 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 1rz0 s ALA 27 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1rz0 s ALA 27 CO 0.00 -0.26 0.64 0.08 0.00 0.00 0.00 175.76 176.22 1rz0 s VAL 28 N 0.81 5.08 0.00 0.00 1.01 -1.26 -0.97 120.40 125.07 1rz0 s VAL 28 Ca 0.53 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.89 1rz0 s VAL 28 Cb -0.24 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1rz0 s VAL 28 CO 0.29 0.25 -0.26 -1.00 0.00 0.00 0.00 175.10 174.38 1rz0 s HIS 29 N 0.92 2.34 0.00 5.22 3.76 0.20 -5.00 115.29 122.73 1rz0 s HIS 29 Ca 0.33 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1rz0 s HIS 29 Cb -0.17 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.06 1rz0 s HIS 29 CO 0.15 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1rz0 n GLY 30 N 2.19 4.16 3.45 -2.22 0.00 -1.26 -0.83 105.19 110.69 1rz0 n GLY 30 Ca -0.16 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.52 3.51 -0.13 2.61 2.01 -0.03 -4.94 115.64 117.16 1rz0 s THR 32 Ca 0.00 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1rz0 s THR 32 Cb 0.00 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 70.05 1rz0 s THR 32 CO 0.00 0.52 0.31 0.00 -0.69 0.00 0.00 174.62 174.76 1rz0 s ALA 33 N 0.23 -0.76 -0.67 7.40 0.00 0.09 -4.89 121.76 123.17 1rz0 s ALA 33 Ca -0.05 1.10 0.11 0.00 0.00 0.00 0.00 51.96 53.11 1rz0 s ALA 33 Cb -0.15 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 1rz0 s ALA 33 CO 0.04 -0.20 0.53 0.27 0.00 0.00 0.00 175.76 176.40 1rz0 n ASN 34 N 3.79 0.73 -4.04 0.00 6.94 -1.26 -1.07 115.26 120.35 1rz0 n ASN 34 Ca -0.21 -0.87 -0.41 0.00 -0.02 0.00 0.00 54.58 53.08 1rz0 n ASN 34 Cb 0.55 0.86 -0.02 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 -0.99 3.96 -2.33 -2.53 0.00 -1.26 -4.91 120.51 112.44 1rz0 n ALA 35 Ca 0.03 -3.61 -0.19 0.00 0.00 0.00 0.00 53.44 49.67 1rz0 n ALA 35 Cb 0.19 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 15.98 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 5.06 1.63 0.08 0.00 5.36 -1.26 -1.78 117.98 127.07 1rz0 s PHE 36 Ca 0.54 -1.45 -0.30 0.00 -0.96 0.00 0.00 56.93 54.77 1rz0 s PHE 36 Cb 0.09 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.89 1rz0 s PHE 36 CO 0.04 -0.61 0.99 0.45 -1.46 0.00 0.00 175.22 174.63 1rz0 s SER 38 N -3.39 7.43 -0.08 6.13 0.15 -1.26 -5.02 113.70 117.66 1rz0 s SER 38 Ca 0.36 1.79 -0.06 0.00 0.70 0.00 0.00 55.95 58.74 1rz0 s SER 38 Cb 0.04 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1rz0 s SER 38 CO 0.20 -0.15 -0.14 0.52 1.20 0.00 0.00 173.24 174.87 1rz0 n VAL 39 N 3.10 0.85 -3.82 4.45 0.31 -0.27 -4.90 118.33 118.06 1rz0 n VAL 39 Ca 0.04 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1rz0 n VAL 39 Cb 0.49 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.59 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 -5.99 -0.13 -0.16 4.52 0.15 -0.91 -4.95 113.70 106.22 1rz0 s SER 40 Ca -0.14 0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 1rz0 s SER 40 Cb 0.05 0.34 -0.23 0.00 -1.71 0.00 0.00 66.02 64.47 1rz0 s SER 40 CO 0.19 -0.24 0.34 0.25 1.20 0.00 0.00 173.24 174.98 1rz0 h LEU 41 N 4.92 0.18 -7.60 3.45 5.85 -1.95 -0.37 115.31 119.80 1rz0 h LEU 41 Ca -0.28 -0.71 -0.63 0.00 0.84 0.00 0.00 57.88 57.10 1rz0 h LEU 41 Cb 1.19 -0.06 -0.39 0.00 0.37 0.00 0.00 40.66 41.77 1rz0 h LEU 41 CO 0.39 1.59 -0.76 0.20 -0.34 0.00 0.00 178.44 179.52 1rz0 s ASN 42 N -6.92 4.20 0.99 1.25 0.01 -1.26 -2.38 114.94 110.83 1rz0 s ASN 42 Ca -0.25 -1.55 -0.15 0.00 -0.71 0.00 0.00 52.86 50.21 1rz0 s ASN 42 Cb 0.05 -1.29 0.18 0.00 0.41 0.00 0.00 41.25 40.61 1rz0 s ASN 42 CO 0.68 -0.30 1.18 -2.16 -1.51 0.00 0.00 177.10 174.99 1rz0 s PRO 43 N 1.26 0.52 -0.69 -0.60 0.04 -1.26 -5.05 135.00 129.22 1rz0 s PRO 43 Ca 0.01 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.80 1rz0 s PRO 43 Cb -0.19 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1rz0 s PRO 43 CO -0.10 -2.57 1.30 0.15 0.04 0.00 0.00 177.00 175.82 1rz0 s LYS 44 N -5.47 3.23 0.12 4.56 1.02 -1.00 -4.50 119.74 117.69 1rz0 s LYS 44 Ca 0.68 -0.07 0.09 0.00 0.02 0.00 0.00 55.97 56.70 1rz0 s LYS 44 Cb -0.11 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.01 1rz0 s LYS 44 CO 0.54 -2.08 -0.22 -0.51 -0.92 0.00 0.00 175.35 172.15 1rz0 s LEU 45 N 5.78 2.33 0.12 3.17 1.43 -0.15 -1.22 118.68 130.14 1rz0 s LEU 45 Ca 0.39 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1rz0 s LEU 45 Cb -0.08 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1rz0 s LEU 45 CO 0.18 0.08 0.06 0.54 0.23 0.00 0.00 176.35 177.44 1rz0 s VAL 46 N -1.26 0.11 -0.03 -1.59 0.11 0.45 -1.11 120.40 117.08 1rz0 s VAL 46 Ca 0.10 -1.87 -0.04 0.00 -2.93 0.00 0.00 61.98 57.23 1rz0 s VAL 46 Cb -0.09 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 1rz0 s VAL 46 CO 0.05 -0.51 0.12 -0.22 -3.33 0.00 0.00 175.10 171.21 1rz0 s LEU 47 N -3.03 1.58 0.06 2.54 0.20 -1.26 0.09 118.68 118.85 1rz0 s LEU 47 Ca 0.22 0.13 0.06 0.00 0.69 0.00 0.00 54.13 55.23 1rz0 s LEU 47 Cb 0.07 0.44 -0.03 0.00 -0.43 0.00 0.00 46.19 46.25 1rz0 s LEU 47 CO 0.00 -0.11 -0.16 0.54 -0.29 0.00 0.00 176.35 176.33 1rz0 s VAL 48 N -0.26 1.29 -0.19 1.68 0.11 -0.87 -4.38 120.40 117.79 1rz0 s VAL 48 Ca -0.03 -1.18 -0.01 0.00 -2.93 0.00 0.00 61.98 57.82 1rz0 s VAL 48 Cb -0.02 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1rz0 s VAL 48 CO 0.00 -0.03 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.07 1rz0 s SER 49 N -1.40 3.69 -0.12 3.54 0.15 -0.73 -0.52 113.70 118.31 1rz0 s SER 49 Ca 0.02 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.19 1rz0 s SER 49 Cb -0.09 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1rz0 s SER 49 CO 0.02 0.01 -0.21 -0.63 1.20 0.00 0.00 173.24 173.62 1rz0 s ILE 50 N 1.28 2.22 0.53 6.45 1.01 -0.39 -4.79 121.20 127.51 1rz0 s ILE 50 Ca 0.03 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 1rz0 s ILE 50 Cb -0.14 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 1rz0 s ILE 50 CO -0.07 0.55 1.34 0.61 0.00 0.00 0.00 174.94 177.37 1rz0 n GLY 51 N 3.74 0.73 0.31 6.18 0.00 -1.26 -0.95 105.19 113.93 1rz0 n GLY 51 Ca -0.19 0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1rz0 n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1rz0 h GLU 52 N 1.50 0.00 -0.02 1.61 4.11 -1.35 -1.89 114.58 118.54 1rz0 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz0 h GLU 52 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1rz0 h GLU 52 CO 0.57 0.02 -0.10 1.63 0.07 0.00 0.00 179.01 181.20 1rz0 n LYS 53 N -3.39 1.83 -2.59 1.06 5.02 -1.26 -4.93 118.16 113.90 1rz0 n LYS 53 Ca -0.02 -1.39 -0.42 0.00 -2.02 0.00 0.00 58.31 54.46 1rz0 n LYS 53 Cb 0.12 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1rz0 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rz0 s ALA 54 N -2.12 3.29 0.00 7.82 0.00 -0.71 -5.03 121.76 125.01 1rz0 s ALA 54 Ca 0.29 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1rz0 s ALA 54 Cb 0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1rz0 s ALA 54 CO 0.37 -0.23 0.14 1.63 0.00 0.00 0.00 175.76 177.67 1rz0 n LYS 55 N 3.26 0.00 0.00 0.00 5.02 -1.26 -4.29 118.16 120.89 1rz0 n LYS 55 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1rz0 n LYS 55 Cb 0.48 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 2.27 0.00 0.02 -0.35 0.00 -1.26 -2.94 117.00 114.75 1rz0 n LEU 57 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.03 1rz0 n LEU 57 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 43.42 43.80 1rz0 n LEU 57 CO 0.07 0.00 1.03 1.05 0.00 0.00 0.00 177.39 179.54 1rz0 h GLU 58 N 0.00 0.48 -0.45 1.96 9.09 -1.96 -1.19 114.58 122.51 1rz0 h GLU 58 Ca 0.00 -0.07 0.05 0.00 0.05 0.00 0.00 59.36 59.40 1rz0 h GLU 58 Cb 0.00 -0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 26.96 1rz0 h GLU 58 CO 0.00 0.43 0.17 0.87 0.05 0.00 0.00 179.01 180.53 1rz0 h LYS 59 N 0.47 0.34 -0.07 1.06 1.79 -1.89 -1.56 116.57 116.72 1rz0 h LYS 59 Ca 0.11 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.35 1rz0 h LYS 59 Cb 0.15 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1rz0 h LYS 59 CO -0.01 0.23 -0.82 0.82 -1.08 0.00 0.00 179.45 178.59 1rz0 h ILE 60 N 0.36 1.36 -0.90 1.86 2.04 -1.75 -0.84 117.51 119.63 1rz0 h ILE 60 Ca 0.21 -2.19 0.11 0.00 1.00 0.00 0.00 64.86 63.98 1rz0 h ILE 60 Cb 0.19 2.18 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 1rz0 h ILE 60 CO -0.20 0.67 0.58 1.56 0.00 0.00 0.00 178.15 180.75 1rz0 h GLN 61 N 0.33 0.84 0.01 2.37 4.20 -0.98 0.32 115.11 122.20 1rz0 h GLN 61 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1rz0 h GLN 61 Cb 1.42 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1rz0 h GLN 61 CO 0.15 0.56 -0.01 1.96 -0.67 0.00 0.00 178.83 180.82 1rz0 h GLN 62 N 0.87 -0.02 0.00 1.46 4.20 -1.10 -3.36 115.11 117.16 1rz0 h GLN 62 Ca 0.43 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.05 1rz0 h GLN 62 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1rz0 h GLN 62 CO -0.19 0.77 -0.44 0.66 -0.67 0.00 0.00 178.83 178.96 1rz0 h SER 63 N -0.94 0.00 -3.01 1.46 4.64 -1.06 -3.47 113.55 111.18 1rz0 h SER 63 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 1rz0 h SER 63 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 1rz0 h SER 63 CO 0.00 0.44 -0.49 0.29 -0.87 0.00 0.00 176.83 176.19 1rz0 n LYS 64 N -3.72 -1.75 -3.58 4.77 4.76 0.11 -4.97 118.16 113.79 1rz0 n LYS 64 Ca -0.01 0.96 -0.14 0.00 -2.87 0.00 0.00 58.31 56.25 1rz0 n LYS 64 Cb 0.51 -5.60 -0.05 0.00 -1.84 0.00 0.00 35.03 28.04 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 -4.96 1.02 0.07 1.97 -2.85 -1.26 -0.79 119.74 112.94 1rz0 s LYS 65 Ca 0.00 -0.20 -0.27 0.00 -1.00 0.00 0.00 55.97 54.51 1rz0 s LYS 65 Cb 0.00 0.47 0.07 0.00 -2.06 0.00 0.00 37.83 36.31 1rz0 s LYS 65 CO 0.00 -0.36 0.64 1.52 0.10 0.00 0.00 175.35 177.24 1rz0 s TYR 66 N -2.31 -0.59 0.05 1.78 -0.85 -0.79 -4.75 117.35 109.88 1rz0 s TYR 66 Ca -0.06 0.68 0.07 0.00 -0.52 0.00 0.00 57.07 57.23 1rz0 s TYR 66 Cb -0.01 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1rz0 s TYR 66 CO -0.01 -0.74 -0.16 0.00 -1.52 0.00 0.00 175.55 173.12 1rz0 s ALA 67 N -2.63 2.67 -0.25 9.51 0.00 -0.36 0.14 121.76 130.84 1rz0 s ALA 67 Ca -0.04 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 1rz0 s ALA 67 Cb -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1rz0 s ALA 67 CO -0.03 0.58 0.08 0.08 0.00 0.00 0.00 175.76 176.48 1rz0 s VAL 68 N -0.96 4.46 -0.42 0.00 1.01 0.12 -1.16 120.40 123.45 1rz0 s VAL 68 Ca 0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1rz0 s VAL 68 Cb -0.11 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 33.27 1rz0 s VAL 68 CO 0.06 0.34 0.26 0.20 0.00 0.00 0.00 175.10 175.96 1rz0 s ASN 69 N 1.54 5.66 -0.04 3.32 0.01 0.11 -1.30 114.94 124.23 1rz0 s ASN 69 Ca 0.06 -1.48 -0.30 0.00 -0.71 0.00 0.00 52.86 50.43 1rz0 s ASN 69 Cb -0.15 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 1rz0 s ASN 69 CO 0.04 -0.54 1.09 -0.63 -1.51 0.00 0.00 177.10 175.56 1rz0 s ILE 70 N 1.44 4.52 0.00 0.60 1.01 0.13 -1.12 121.20 127.78 1rz0 s ILE 70 Ca 0.03 1.81 -0.21 0.00 0.00 0.00 0.00 60.65 62.28 1rz0 s ILE 70 Cb -0.23 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1rz0 s ILE 70 CO 0.02 0.05 0.62 -0.76 0.00 0.00 0.00 174.94 174.88 1rz0 s LEU 71 N 1.71 4.42 0.76 2.97 1.43 0.21 -0.23 118.68 129.96 1rz0 s LEU 71 Ca 0.53 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1rz0 s LEU 71 Cb -0.23 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1rz0 s LEU 71 CO 0.23 0.09 1.08 -0.94 0.23 0.00 0.00 176.35 177.04 1rz0 s SER 72 N -0.18 4.76 0.59 2.29 1.04 -1.26 -2.03 113.70 118.90 1rz0 s SER 72 Ca 0.32 1.47 0.30 0.00 0.48 0.00 0.00 55.95 58.52 1rz0 s SER 72 Cb -0.19 -2.25 1.36 0.00 0.10 0.00 0.00 66.02 65.05 1rz0 s SER 72 CO 0.18 -1.82 1.73 -0.61 0.98 0.00 0.00 173.24 173.70 1rz0 h GLN 73 N -0.98 0.00 -0.35 4.02 4.15 -0.89 -1.81 115.11 119.25 1rz0 h GLN 73 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1rz0 h GLN 73 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1rz0 h GLN 73 CO 0.57 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.22 1rz0 n ASP 74 N -3.67 1.98 -0.58 -0.69 8.00 -1.26 -4.41 116.55 115.92 1rz0 n ASP 74 Ca 0.16 -1.97 0.06 0.00 0.71 0.00 0.00 54.79 53.75 1rz0 n ASP 74 Cb 1.01 -0.24 0.19 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.58 1.46 -0.25 -1.24 6.02 -0.68 -4.74 117.38 118.53 1rz0 n GLN 75 Ca 0.13 -3.14 -0.01 0.00 -0.01 0.00 0.00 57.00 53.97 1rz0 n GLN 75 Cb 0.32 -1.52 0.18 0.00 1.02 0.00 0.00 30.24 30.24 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 0.87 1.08 -0.54 -1.09 3.64 -1.78 -1.67 116.57 117.07 1rz0 h LYS 76 Ca -0.01 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1rz0 h LYS 76 Cb 1.05 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1rz0 h LYS 76 CO 0.00 0.76 0.13 0.28 -2.27 0.00 0.00 179.45 178.36 1rz0 h VAL 77 N 1.09 1.22 -0.67 2.00 2.07 -1.96 -2.26 116.25 117.75 1rz0 h VAL 77 Ca 0.28 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1rz0 h VAL 77 Cb -0.03 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1rz0 h VAL 77 CO -0.05 0.30 0.23 -0.07 0.02 0.00 0.00 177.57 178.00 1rz0 h LEU 78 N 0.80 0.96 -0.92 2.57 3.38 -1.69 0.24 115.31 120.65 1rz0 h LEU 78 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rz0 h LEU 78 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rz0 h LEU 78 CO -0.00 0.90 0.00 -0.24 0.09 0.00 0.00 178.44 179.18 1rz0 n SER 79 N -4.36 0.00 0.00 -0.43 2.88 -0.84 -1.13 113.62 109.74 1rz0 n SER 79 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1rz0 n SER 79 Cb 0.20 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 0.39 0.00 0.00 -3.46 5.15 0.07 -1.90 115.26 115.52 1rz0 n ASN 81 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 1rz0 n ASN 81 Cb 0.00 0.00 0.82 0.00 -0.53 0.00 0.00 39.78 40.07 1rz0 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz0 n PHE 82 N 0.00 0.00 0.63 1.20 3.72 -0.28 -1.82 117.46 120.91 1rz0 n PHE 82 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1rz0 n PHE 82 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.96 2.44 -1.59 4.37 0.00 -0.80 -0.85 120.51 123.12 1rz0 n ALA 83 Ca 0.21 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1rz0 n ALA 83 Cb 0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 1.37 0.89 0.78 0.00 0.00 -0.75 -4.93 105.19 102.54 1rz0 n GLY 84 Ca 0.16 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.51 1.90 -4.15 1.61 6.02 -1.26 -4.89 117.38 114.10 1rz0 n GLN 85 Ca -0.12 -1.59 -0.36 0.00 -0.01 0.00 0.00 57.00 54.91 1rz0 n GLN 85 Cb 0.45 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.03 3.95 0.43 1.08 1.43 -1.26 -4.99 118.68 117.29 1rz0 s LEU 86 Ca 0.24 0.29 0.21 0.00 -1.03 0.00 0.00 54.13 53.84 1rz0 s LEU 86 Cb 0.18 -1.93 0.98 0.00 0.03 0.00 0.00 46.19 45.45 1rz0 s LEU 86 CO 0.36 0.39 1.88 -0.33 0.23 0.00 0.00 176.35 178.88 1rz0 h GLU 87 N 5.08 0.00 -5.04 1.70 4.39 -2.00 -3.42 114.58 115.29 1rz0 h GLU 87 Ca -0.53 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.50 1rz0 h GLU 87 Cb 1.21 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.51 1rz0 h GLU 87 CO 0.56 0.27 -0.85 0.21 -1.16 0.00 0.00 179.01 178.03 1rz0 s LYS 88 N -3.93 2.91 0.97 2.33 2.20 -1.26 -5.12 119.74 117.85 1rz0 s LYS 88 Ca -0.01 -0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 54.59 1rz0 s LYS 88 Cb 0.12 -2.61 0.11 0.00 -1.51 0.00 0.00 37.83 33.94 1rz0 s LYS 88 CO 0.65 -0.25 0.76 -2.30 -0.36 0.00 0.00 175.35 173.85 1rz0 n PRO 89 N 4.60 -0.66 -4.35 4.03 -0.02 -1.26 -5.04 135.00 132.31 1rz0 n PRO 89 Ca -0.20 -0.14 -0.24 0.00 -2.02 0.00 0.00 63.50 60.89 1rz0 n PRO 89 Cb 0.49 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1rz0 n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rz0 s VAL 90 N -2.49 1.97 -0.52 -1.45 -7.23 -1.26 -5.10 120.40 104.33 1rz0 s VAL 90 Ca 0.62 -1.85 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 1rz0 s VAL 90 Cb -0.22 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 34.90 1rz0 s VAL 90 CO 0.63 -0.17 0.92 -0.62 -0.31 0.00 0.00 175.10 175.56 1rz0 s ASP 91 N -2.43 6.39 -0.06 4.85 2.15 -1.26 -5.00 116.67 121.30 1rz0 s ASP 91 Ca 0.15 -0.20 -0.14 0.00 0.43 0.00 0.00 52.55 52.78 1rz0 s ASP 91 Cb -0.08 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1rz0 s ASP 91 CO 0.07 -1.15 0.38 -0.69 -0.17 0.00 0.00 175.17 173.60 1rz0 s VAL 92 N 3.83 5.15 -0.43 1.11 1.01 -1.26 -5.04 120.40 124.77 1rz0 s VAL 92 Ca 0.32 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.80 1rz0 s VAL 92 Cb -0.12 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1rz0 s VAL 92 CO 0.22 0.51 0.92 -1.10 0.00 0.00 0.00 175.10 175.64 1rz0 s GLN 93 N -0.51 3.64 -0.07 2.72 -1.52 -1.26 -5.03 119.66 117.63 1rz0 s GLN 93 Ca 0.22 0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 53.90 1rz0 s GLN 93 Cb -0.15 -3.88 -0.04 0.00 -0.22 0.00 0.00 33.01 28.72 1rz0 s GLN 93 CO 0.10 -1.12 0.09 -0.06 -0.25 0.00 0.00 175.29 174.05 1rz0 s PHE 94 N 3.65 3.38 0.00 0.91 0.40 -1.26 -1.63 117.98 123.42 1rz0 s PHE 94 Ca 0.37 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 57.03 1rz0 s PHE 94 Cb -0.11 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1rz0 s PHE 94 CO 0.24 0.60 0.00 -0.85 0.70 0.00 0.00 175.22 175.91 1rz0 n GLU 95 N 1.74 3.37 -4.18 0.44 0.28 0.28 -4.86 120.64 117.72 1rz0 n GLU 95 Ca -0.17 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.67 1rz0 n GLU 95 Cb 0.54 0.00 -0.15 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 0.67 0.47 -0.21 3.44 2.12 -1.26 -0.77 118.70 123.16 1rz0 s GLU 96 Ca 0.00 -0.19 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 1rz0 s GLU 96 Cb 0.00 -0.46 0.09 0.00 0.26 0.00 0.00 34.13 34.02 1rz0 s GLU 96 CO 0.00 0.11 0.47 -1.17 -0.54 0.00 0.00 175.26 174.13 1rz0 s LEU 97 N -0.08 -0.61 -1.43 2.70 2.96 -0.24 -4.90 118.68 117.07 1rz0 s LEU 97 Ca 0.02 1.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.93 1rz0 s LEU 97 Cb -0.03 1.58 0.05 0.00 0.50 0.00 0.00 46.19 48.30 1rz0 s LEU 97 CO -0.00 -0.22 0.68 0.61 -1.32 0.00 0.00 176.35 176.09 1rz0 n GLY 98 N 5.03 -0.50 2.56 7.98 0.00 -1.26 -1.35 105.19 117.64 1rz0 n GLY 98 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.44 0.57 3.62 -0.02 0.00 -1.26 -4.96 105.19 101.70 1rz0 n GLY 99 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.25 0.16 0.99 1.43 -0.46 -4.97 118.68 119.09 1rz0 s LEU 100 Ca 0.00 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1rz0 s LEU 100 Cb 0.00 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 1rz0 s LEU 100 CO 0.00 0.24 1.32 -2.16 0.23 0.00 0.00 176.35 175.98 1rz0 s PRO 101 N -1.75 4.38 0.17 1.29 0.04 -1.26 -1.08 135.00 136.79 1rz0 s PRO 101 Ca 0.20 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.31 1rz0 s PRO 101 Cb -0.11 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1rz0 s PRO 101 CO 0.11 -0.30 -0.09 0.14 0.04 0.00 0.00 177.00 176.90 1rz0 s VAL 102 N 0.50 1.28 -0.20 -0.36 -7.23 0.06 -4.69 120.40 109.76 1rz0 s VAL 102 Ca 0.59 -2.09 -0.19 0.00 -1.81 0.00 0.00 61.98 58.48 1rz0 s VAL 102 Cb -0.36 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1rz0 s VAL 102 CO 0.35 -0.64 0.55 -0.63 -0.31 0.00 0.00 175.10 174.42 1rz0 s ILE 103 N -3.26 5.08 0.32 -0.62 1.01 -1.26 -0.55 121.20 121.91 1rz0 s ILE 103 Ca 0.20 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 1rz0 s ILE 103 Cb 0.02 -3.87 -0.12 0.00 0.01 0.00 0.00 42.46 38.50 1rz0 s ILE 103 CO 0.03 0.16 1.42 1.17 0.00 0.00 0.00 174.94 177.72 1rz0 n LYS 104 N 4.88 2.35 -1.01 2.79 4.81 -0.65 -2.47 118.16 128.86 1rz0 n LYS 104 Ca -0.04 0.83 -0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1rz0 n LYS 104 Cb 0.50 -2.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.05 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 1.25 -4.55 -4.66 3.14 8.00 -1.26 -4.98 116.55 113.50 1rz0 n ASP 105 Ca 0.06 0.01 -0.38 0.00 0.71 0.00 0.00 54.79 55.19 1rz0 n ASP 105 Cb 0.36 -2.08 0.05 0.00 -0.02 0.00 0.00 41.12 39.43 1rz0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n ALA 106 N 1.01 0.59 -0.30 2.24 0.00 -1.03 -4.72 120.51 118.30 1rz0 n ALA 106 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1rz0 n ALA 106 Cb 0.26 -2.18 0.23 0.00 0.00 0.00 0.00 19.45 17.75 1rz0 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz0 h LEU 107 N 0.79 0.53 -7.27 0.00 5.85 -0.87 -3.43 115.31 110.91 1rz0 h LEU 107 Ca -0.49 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1rz0 h LEU 107 Cb 1.35 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.20 1rz0 h LEU 107 CO 0.53 0.22 -0.04 0.00 -0.34 0.00 0.00 178.44 178.81 1rz0 s ALA 108 N -5.97 -1.24 -0.07 1.25 0.00 -1.08 -1.38 121.76 113.27 1rz0 s ALA 108 Ca -0.12 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1rz0 s ALA 108 Cb 0.22 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1rz0 s ALA 108 CO 0.78 -0.37 -0.12 -0.65 0.00 0.00 0.00 175.76 175.40 1rz0 s GLN 109 N -1.66 1.68 -0.19 0.00 -0.21 0.40 -0.69 119.66 118.99 1rz0 s GLN 109 Ca -0.10 -0.40 -0.03 0.00 0.02 0.00 0.00 55.36 54.85 1rz0 s GLN 109 Cb -0.02 -1.40 0.06 0.00 1.00 0.00 0.00 33.01 32.65 1rz0 s GLN 109 CO 0.04 0.01 0.03 0.42 -2.12 0.00 0.00 175.29 173.67 1rz0 s ILE 110 N 0.70 0.55 -0.11 1.08 1.01 -0.42 -0.85 121.20 123.17 1rz0 s ILE 110 Ca -0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1rz0 s ILE 110 Cb -0.16 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1rz0 s ILE 110 CO 0.03 -0.16 0.26 -0.44 0.00 0.00 0.00 174.94 174.63 1rz0 s SER 111 N 1.85 6.50 0.05 3.58 0.01 -0.21 -0.70 113.70 124.78 1rz0 s SER 111 Ca -0.01 0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.88 1rz0 s SER 111 Cb -0.17 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1rz0 s SER 111 CO -0.08 0.27 -0.10 0.00 0.41 0.00 0.00 173.24 173.75 1rz0 s GLN 113 N -1.69 3.46 0.08 0.00 -1.52 0.06 -1.89 119.66 118.16 1rz0 s GLN 113 Ca -0.07 -0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 52.52 1rz0 s GLN 113 Cb -0.10 -2.85 -0.08 0.00 -0.22 0.00 0.00 33.01 29.77 1rz0 s GLN 113 CO 0.01 0.35 1.53 0.08 -0.25 0.00 0.00 175.29 177.02 1rz0 s VAL 114 N 0.05 3.18 -0.20 1.09 1.01 0.03 -0.67 120.40 124.89 1rz0 s VAL 114 Ca -0.00 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1rz0 s VAL 114 Cb -0.13 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1rz0 s VAL 114 CO 0.03 0.02 0.21 1.33 0.00 0.00 0.00 175.10 176.68 1rz0 n VAL 115 N 4.45 0.00 -3.53 2.92 0.24 -0.14 -4.90 118.33 117.36 1rz0 n VAL 115 Ca 0.14 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.95 1rz0 n VAL 115 Cb 0.41 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.58 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 -1.78 -0.65 -0.07 -1.34 3.04 -1.15 -5.02 114.94 107.97 1rz0 s ASN 116 Ca 0.01 0.77 0.01 0.00 0.04 0.00 0.00 52.86 53.69 1rz0 s ASN 116 Cb 0.04 0.61 0.02 0.00 -1.54 0.00 0.00 41.25 40.38 1rz0 s ASN 116 CO 0.23 -0.56 -0.10 -1.61 -3.04 0.00 0.00 177.10 172.02 1rz0 s GLU 117 N -1.04 1.48 -0.14 0.43 2.02 -1.26 -1.34 118.70 118.86 1rz0 s GLU 117 Ca -0.09 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1rz0 s GLU 117 Cb -0.00 -1.33 0.04 0.00 0.10 0.00 0.00 34.13 32.93 1rz0 s GLU 117 CO 0.09 -0.07 -0.01 0.08 0.02 0.00 0.00 175.26 175.37 1rz0 s VAL 118 N 0.97 0.69 0.24 2.63 1.01 -0.37 -4.97 120.40 120.59 1rz0 s VAL 118 Ca -0.09 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1rz0 s VAL 118 Cb -0.15 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 1rz0 s VAL 118 CO 0.00 0.10 1.28 -1.58 0.00 0.00 0.00 175.10 174.91 1rz0 s GLN 119 N 1.82 4.41 -0.29 2.72 0.74 -1.26 -0.28 119.66 127.52 1rz0 s GLN 119 Ca 0.02 2.06 -0.02 0.00 0.05 0.00 0.00 55.36 57.47 1rz0 s GLN 119 Cb -0.14 -3.17 0.12 0.00 1.10 0.00 0.00 33.01 30.92 1rz0 s GLN 119 CO -0.07 -0.18 0.21 0.00 -0.55 0.00 0.00 175.29 174.70 1rz0 s ALA 120 N -0.33 0.07 0.00 1.58 0.00 0.38 -4.91 121.76 118.55 1rz0 s ALA 120 Ca 0.53 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1rz0 s ALA 120 Cb -0.37 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1rz0 s ALA 120 CO 0.42 -1.67 0.00 0.41 0.00 0.00 0.00 175.76 174.92 1rz0 n GLY 121 N 5.28 3.02 0.33 0.00 0.00 -1.26 -1.97 105.19 110.59 1rz0 n GLY 121 Ca -0.04 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.77 1.61 3.45 -1.98 -3.46 116.42 111.27 1rz0 h ASP 122 Ca 0.00 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.21 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 -0.66 -1.00 -1.57 0.00 0.00 179.24 176.01 1rz0 s HIS 123 N -4.05 1.09 -0.08 4.55 3.76 -0.83 -0.87 115.29 118.86 1rz0 s HIS 123 Ca -0.03 -1.07 0.05 0.00 -0.15 0.00 0.00 55.06 53.86 1rz0 s HIS 123 Cb 0.07 -0.62 -0.00 0.00 1.11 0.00 0.00 32.58 33.14 1rz0 s HIS 123 CO 0.22 -0.30 -0.23 0.99 -0.85 0.00 0.00 174.74 174.58 1rz0 s THR 124 N -3.77 1.95 -0.25 1.30 2.01 -0.13 -0.47 115.64 116.28 1rz0 s THR 124 Ca 0.23 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 1rz0 s THR 124 Cb 0.06 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1rz0 s THR 124 CO 0.03 0.54 0.66 -0.76 -0.69 0.00 0.00 174.62 174.40 1rz0 s LEU 125 N 0.15 4.07 -0.43 4.42 1.43 0.61 -1.26 118.68 127.67 1rz0 s LEU 125 Ca -0.12 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 1rz0 s LEU 125 Cb -0.16 -2.91 0.07 0.00 0.03 0.00 0.00 46.19 43.22 1rz0 s LEU 125 CO 0.06 -0.39 0.29 -0.36 0.23 0.00 0.00 176.35 176.18 1rz0 s PHE 126 N 2.55 3.30 -0.14 0.29 0.08 0.32 -1.24 117.98 123.14 1rz0 s PHE 126 Ca 0.28 -1.27 -0.27 0.00 0.12 0.00 0.00 56.93 55.79 1rz0 s PHE 126 Cb -0.15 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1rz0 s PHE 126 CO 0.08 -0.80 0.88 0.42 -0.10 0.00 0.00 175.22 175.70 1rz0 s ILE 127 N 1.51 4.86 -0.07 0.64 1.01 -0.45 -2.04 121.20 126.66 1rz0 s ILE 127 Ca 0.03 1.75 0.05 0.00 0.00 0.00 0.00 60.65 62.49 1rz0 s ILE 127 Cb -0.23 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 1rz0 s ILE 127 CO 0.04 0.04 -0.23 -0.83 0.00 0.00 0.00 174.94 173.95 1rz0 s GLY 128 N 1.11 1.33 -0.13 6.18 0.00 0.11 -0.97 107.32 114.96 1rz0 s GLY 128 Ca 0.41 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.90 1rz0 s GLY 128 CO 0.15 -0.57 0.64 1.85 0.00 0.00 0.00 173.10 175.17 1rz0 s GLU 129 N -0.07 4.33 -0.09 2.90 2.12 0.16 -0.41 118.70 127.64 1rz0 s GLU 129 Ca -0.06 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 55.69 1rz0 s GLU 129 Cb -0.14 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1rz0 s GLU 129 CO 0.05 -0.04 0.97 0.08 -0.54 0.00 0.00 175.26 175.78 1rz0 s VAL 130 N 1.21 4.82 -0.18 3.70 1.01 -0.36 -0.76 120.40 129.85 1rz0 s VAL 130 Ca 0.32 1.98 0.12 0.00 0.00 0.00 0.00 61.98 64.40 1rz0 s VAL 130 Cb -0.16 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.74 1rz0 s VAL 130 CO 0.14 0.04 0.01 0.35 0.00 0.00 0.00 175.10 175.63 1rz0 n THR 131 N 4.44 1.18 -3.82 3.92 -2.24 0.10 -4.89 114.28 112.97 1rz0 n THR 131 Ca 0.07 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1rz0 n THR 131 Cb 0.49 -0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.14 -0.01 3.42 1.01 -1.21 -5.02 116.67 109.44 1rz0 s ASP 132 Ca -0.13 0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.32 1rz0 s ASP 132 Cb 0.06 0.35 -0.00 0.00 1.01 0.00 0.00 42.92 44.33 1rz0 s ASP 132 CO 0.65 -0.24 -0.05 -0.63 0.21 0.00 0.00 175.17 175.11 1rz0 s ILE 133 N -0.63 0.44 -0.04 0.77 1.01 -1.26 -1.05 121.20 120.45 1rz0 s ILE 133 Ca -0.07 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1rz0 s ILE 133 Cb -0.04 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1rz0 s ILE 133 CO 0.01 0.13 -0.09 -0.75 0.00 0.00 0.00 174.94 174.24 1rz0 s LYS 134 N -0.06 1.13 0.07 2.79 2.47 -0.03 -4.99 119.74 121.10 1rz0 s LYS 134 Ca 0.01 -0.31 0.07 0.00 -1.56 0.00 0.00 55.97 54.19 1rz0 s LYS 134 Cb -0.03 -1.02 -0.03 0.00 -1.46 0.00 0.00 37.83 35.29 1rz0 s LYS 134 CO -0.00 0.07 -0.19 0.42 0.16 0.00 0.00 175.35 175.81 1rz0 s ILE 135 N 0.41 1.51 0.33 5.43 1.01 -1.26 -0.45 121.20 128.17 1rz0 s ILE 135 Ca -0.07 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.32 1rz0 s ILE 135 Cb -0.11 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1rz0 s ILE 135 CO 0.01 0.02 0.08 0.42 0.00 0.00 0.00 174.94 175.47 1rz0 s THR 136 N -0.99 0.94 -0.41 2.92 -4.23 -0.48 -5.00 115.64 108.39 1rz0 s THR 136 Ca 0.05 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1rz0 s THR 136 Cb -0.09 -2.67 0.65 0.00 1.34 0.00 0.00 72.50 71.73 1rz0 s THR 136 CO 0.03 0.00 1.84 -0.62 -0.54 0.00 0.00 174.62 175.33 1rz0 n GLU 137 N -0.69 2.33 -1.40 3.99 -0.58 -1.26 -4.87 120.64 118.16 1rz0 n GLU 137 Ca -0.03 -3.05 -0.31 0.00 -0.42 0.00 0.00 57.16 53.36 1rz0 n GLU 137 Cb 0.66 -2.13 0.09 0.00 -0.57 0.00 0.00 31.44 29.49 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 -3.26 2.20 0.33 3.49 -0.21 -1.26 -5.04 119.66 115.91 1rz0 s GLN 138 Ca 0.55 0.92 -0.19 0.00 0.02 0.00 0.00 55.36 56.66 1rz0 s GLN 138 Cb 0.47 -1.91 -0.09 0.00 1.00 0.00 0.00 33.01 32.47 1rz0 s GLN 138 CO 0.10 -1.61 0.81 -0.51 -2.12 0.00 0.00 175.29 171.96 1rz0 s ASP 139 N -3.62 6.93 0.07 5.90 1.01 -1.26 -4.98 116.67 120.71 1rz0 s ASP 139 Ca 0.61 1.47 -0.12 0.00 0.71 0.00 0.00 52.55 55.21 1rz0 s ASP 139 Cb -0.16 -2.45 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 1rz0 s ASP 139 CO 0.56 -0.19 0.44 -2.16 0.21 0.00 0.00 175.17 174.03 1rz0 s PRO 140 N -2.75 3.86 0.21 8.23 0.04 -1.26 -0.40 135.00 142.93 1rz0 s PRO 140 Ca 0.54 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1rz0 s PRO 140 Cb -0.12 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1rz0 s PRO 140 CO 0.18 0.58 1.44 -1.17 0.04 0.00 0.00 177.00 178.06 1rz0 s LEU 141 N -1.66 4.39 0.23 -3.56 2.96 -0.86 -4.16 118.68 116.01 1rz0 s LEU 141 Ca 0.31 2.58 0.11 0.00 -0.22 0.00 0.00 54.13 56.91 1rz0 s LEU 141 Cb -0.15 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 1rz0 s LEU 141 CO 0.17 -0.69 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.56 1rz0 s LEU 142 N 0.11 2.63 -0.03 -0.68 1.43 -0.56 -3.09 118.68 118.49 1rz0 s LEU 142 Ca 0.61 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1rz0 s LEU 142 Cb -0.41 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1rz0 s LEU 142 CO 0.39 0.08 0.03 0.12 0.23 0.00 0.00 176.35 177.20 1rz0 s PHE 143 N -2.03 0.11 -0.24 0.29 5.36 0.20 -1.03 117.98 120.64 1rz0 s PHE 143 Ca 0.26 0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.18 1rz0 s PHE 143 Cb -0.07 -0.34 0.07 0.00 -0.34 0.00 0.00 43.02 42.34 1rz0 s PHE 143 CO 0.13 -0.13 0.60 0.12 -1.46 0.00 0.00 175.22 174.49 1rz0 s PHE 144 N 1.33 -0.80 -1.53 10.12 5.36 -0.52 -0.89 117.98 131.05 1rz0 s PHE 144 Ca -0.06 1.76 -0.14 0.00 -0.96 0.00 0.00 56.93 57.53 1rz0 s PHE 144 Cb -0.13 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.02 1rz0 s PHE 144 CO -0.03 -0.40 0.94 0.43 -1.46 0.00 0.00 175.22 174.70 1rz0 n SER 145 N 3.61 -4.77 0.00 6.13 7.64 0.84 -1.55 113.62 125.53 1rz0 n SER 145 Ca -0.18 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1rz0 n SER 145 Cb 0.57 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 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 -1.65 0.52 3.27 0.23 0.00 -1.26 -5.02 105.19 101.28 1rz0 n GLY 146 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.36 1.11 0.38 1.61 1.02 -0.59 -5.14 119.74 117.77 1rz0 s LYS 147 Ca 0.00 -1.34 -0.25 0.00 0.02 0.00 0.00 55.97 54.41 1rz0 s LYS 147 Cb 0.00 -0.99 -0.09 0.00 -0.52 0.00 0.00 37.83 36.23 1rz0 s LYS 147 CO 0.00 0.18 1.02 0.71 -0.92 0.00 0.00 175.35 176.35 1rz0 s TYR 148 N -2.35 3.38 0.24 3.18 2.02 -1.26 -1.44 117.35 121.12 1rz0 s TYR 148 Ca 0.13 1.67 -0.08 0.00 -0.37 0.00 0.00 57.07 58.43 1rz0 s TYR 148 Cb -0.04 -3.07 -0.02 0.00 -0.40 0.00 0.00 41.96 38.43 1rz0 s TYR 148 CO 0.04 -0.41 0.36 -1.01 -1.57 0.00 0.00 175.55 172.96 1rz0 s HIS 149 N -1.66 0.71 0.20 2.71 3.76 -0.20 -4.93 115.29 115.88 1rz0 s HIS 149 Ca 0.56 -1.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.53 1rz0 s HIS 149 Cb -0.21 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.34 1rz0 s HIS 149 CO 0.26 -0.89 -0.14 -0.65 -0.85 0.00 0.00 174.74 172.48 1rz0 s GLN 150 N -3.97 1.30 0.34 1.40 -0.21 -1.26 -1.50 119.66 115.77 1rz0 s GLN 150 Ca 0.29 -1.57 -0.28 0.00 0.02 0.00 0.00 55.36 53.82 1rz0 s GLN 150 Cb 0.02 -1.07 -0.10 0.00 1.00 0.00 0.00 33.01 32.86 1rz0 s GLN 150 CO 0.11 0.18 1.26 -0.51 -2.12 0.00 0.00 175.29 174.21 1rz0 s LEU 151 N -3.29 4.38 0.24 2.90 1.43 -1.26 -4.99 118.68 118.09 1rz0 s LEU 151 Ca 0.22 2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 1rz0 s LEU 151 Cb -0.01 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1rz0 s LEU 151 CO 0.06 -0.55 1.51 0.00 0.23 0.00 0.00 176.35 177.61 1rz0 s ALA 152 N -1.20 3.70 -2.86 4.21 0.00 -1.26 -5.11 121.76 119.24 1rz0 s ALA 152 Ca 0.51 1.41 0.23 0.00 0.00 0.00 0.00 51.96 54.11 1rz0 s ALA 152 Cb -0.37 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 19.33 1rz0 s ALA 152 CO 0.49 -0.82 1.22 1.04 0.00 0.00 0.00 175.76 177.69