#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnz n GLY -3 N 0.00 5.74 0.59 3.03 0.00 -1.26 -5.03 105.19 108.27 2rnz n GLY -3 Ca 0.00 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.46 2rnz n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rnz n SER -2 N -0.39 1.77 -3.72 1.61 2.88 -1.26 -4.89 113.62 109.61 2rnz n SER -2 Ca 0.00 -1.75 -0.10 0.00 -1.33 0.00 0.00 58.87 55.68 2rnz n SER -2 Cb 0.00 -0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.27 2rnz n SER -2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2rnz s SER -1 N -1.49 -0.11 0.34 -3.46 1.04 -1.26 -5.14 113.70 103.61 2rnz s SER -1 Ca 0.31 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.44 2rnz s SER -1 Cb 0.17 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2rnz s SER -1 CO 0.25 -0.76 0.22 1.41 0.98 0.00 0.00 173.24 175.35 2rnz n HIS 0 N 0.04 -0.44 0.27 5.02 -0.00 -1.26 -4.94 115.22 113.90 2rnz n HIS 0 Ca -0.16 -2.56 0.10 0.00 -0.00 0.00 0.00 57.72 55.09 2rnz n HIS 0 Cb 0.62 0.18 0.72 0.00 -0.00 0.00 0.00 29.99 31.51 2rnz n HIS 0 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2rnz h HIS 1 N 1.87 0.00 -4.73 4.41 6.17 -2.04 -3.44 115.15 117.39 2rnz h HIS 1 Ca -0.25 0.00 -0.41 0.00 0.71 0.00 0.00 60.37 60.42 2rnz h HIS 1 Cb 1.13 0.00 -0.12 0.00 2.52 0.00 0.00 27.41 30.93 2rnz h HIS 1 CO 0.00 0.00 -0.45 -3.38 0.71 0.00 0.00 177.93 174.81 2rnz s HIS 2 N -4.94 1.58 0.92 5.26 -0.00 -1.26 -5.15 115.29 111.70 2rnz s HIS 2 Ca -0.05 -1.57 -0.11 0.00 -0.00 0.00 0.00 55.06 53.32 2rnz s HIS 2 Cb 0.16 -0.59 0.10 0.00 -0.00 0.00 0.00 32.58 32.26 2rnz s HIS 2 CO 0.63 -0.90 0.87 0.72 -0.00 0.00 0.00 174.74 176.07 2rnz n HIS 3 N -0.58 0.00 -3.03 0.38 8.25 -1.26 -4.97 115.22 114.01 2rnz n HIS 3 Ca 0.06 0.34 -0.35 0.00 -0.26 0.00 0.00 57.72 57.51 2rnz n HIS 3 Cb 0.62 -1.93 -0.06 0.00 1.12 0.00 0.00 29.99 29.75 2rnz n HIS 3 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2rnz s HIS 4 N -2.50 3.51 0.04 4.41 0.09 -1.26 -5.01 115.29 114.57 2rnz s HIS 4 Ca 0.64 1.42 -0.00 0.00 -0.00 0.00 0.00 55.06 57.11 2rnz s HIS 4 Cb -0.23 -2.67 -0.04 0.00 -0.00 0.00 0.00 32.58 29.64 2rnz s HIS 4 CO 0.61 0.17 0.19 -3.38 -0.00 0.00 0.00 174.74 172.34 2rnz s HIS 5 N -1.78 3.50 -1.35 1.40 -0.00 -1.26 -4.51 115.29 111.29 2rnz s HIS 5 Ca 0.50 0.26 -0.09 0.00 -0.00 0.00 0.00 55.06 55.73 2rnz s HIS 5 Cb -0.14 -1.76 0.00 0.00 -0.00 0.00 0.00 32.58 30.68 2rnz s HIS 5 CO 0.19 0.60 0.46 -1.13 -0.00 0.00 0.00 174.74 174.86 2rnz n SER 6 N 0.46 -1.63 -3.69 7.38 3.41 -1.26 -4.95 113.62 113.34 2rnz n SER 6 Ca -0.07 -1.09 -0.28 0.00 -0.26 0.00 0.00 58.87 57.17 2rnz n SER 6 Cb 0.51 -2.70 -0.16 0.00 -0.26 0.00 0.00 64.21 61.61 2rnz n SER 6 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rnz s SER 7 N -4.08 3.33 0.00 4.04 0.15 -1.26 -5.09 113.70 110.79 2rnz s SER 7 Ca 0.16 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2rnz s SER 7 Cb -0.07 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2rnz s SER 7 CO 0.91 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.60 2rnz n GLY 8 N 5.04 0.84 0.99 9.45 0.00 -1.26 -4.85 105.19 115.41 2rnz n GLY 8 Ca -0.06 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.04 2rnz n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rnz n LEU 9 N 0.00 4.07 -4.04 0.99 4.32 -1.26 -4.99 117.00 116.09 2rnz n LEU 9 Ca 0.00 -3.07 -0.08 0.00 -0.02 0.00 0.00 56.01 52.85 2rnz n LEU 9 Cb 0.00 -0.56 -0.10 0.00 -1.62 0.00 0.00 43.42 41.13 2rnz n LEU 9 CO 0.00 0.71 -0.35 0.68 -1.22 0.00 0.00 177.39 177.21 2rnz s VAL 10 N -2.86 0.18 1.19 4.08 -7.23 -1.26 -4.63 120.40 109.86 2rnz s VAL 10 Ca 0.43 -1.45 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 2rnz s VAL 10 Cb 0.35 -1.05 0.28 0.00 0.56 0.00 0.00 36.38 36.53 2rnz s VAL 10 CO 0.09 -0.80 1.11 -2.16 -0.31 0.00 0.00 175.10 173.03 2rnz s PRO 11 N -3.00 -1.12 -0.17 4.82 0.04 -1.26 -4.82 135.00 129.49 2rnz s PRO 11 Ca -0.02 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.01 2rnz s PRO 11 Cb 0.01 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.96 2rnz s PRO 11 CO -0.07 -3.65 -0.20 0.50 0.04 0.00 0.00 177.00 173.62 2rnz s ARG 12 N -5.37 3.01 -0.29 4.56 3.00 -1.26 -5.07 118.95 117.53 2rnz s ARG 12 Ca 0.70 -0.83 -0.15 0.00 -1.00 0.00 0.00 55.73 54.46 2rnz s ARG 12 Cb -0.10 -2.55 0.12 0.00 0.00 0.00 0.00 34.95 32.41 2rnz s ARG 12 CO 0.56 -0.15 0.79 0.20 0.00 0.00 0.00 175.30 176.70 2rnz s GLY 13 N 1.16 -0.45 -0.09 8.12 0.00 -1.26 -5.03 107.32 109.78 2rnz s GLY 13 Ca 0.02 2.66 0.17 0.00 0.00 0.00 0.00 44.72 47.57 2rnz s GLY 13 CO -0.10 2.69 1.16 1.44 0.00 0.00 0.00 173.10 178.30 2rnz n SER 14 N 4.48 1.26 -0.02 1.64 7.64 -1.26 -4.77 113.62 122.60 2rnz n SER 14 Ca -0.17 -2.78 -0.02 0.00 1.01 0.00 0.00 58.87 56.91 2rnz n SER 14 Cb 0.56 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2rnz n HIS 15 N -0.34 0.00 -4.03 1.43 8.25 -1.26 -4.85 115.22 114.42 2rnz n HIS 15 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.33 2rnz n HIS 15 Cb 0.88 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.79 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2rnz s MET 16 N -2.08 3.17 -0.02 -0.41 -1.94 -1.26 -4.45 119.30 112.31 2rnz s MET 16 Ca -0.04 -0.83 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 2rnz s MET 16 Cb 0.01 -2.76 0.03 0.00 2.01 0.00 0.00 34.83 34.13 2rnz s MET 16 CO 0.11 0.45 0.04 -1.54 -0.01 0.00 0.00 175.02 174.07 2rnz s SER 17 N -3.58 0.08 0.11 3.03 1.04 -1.26 -5.03 113.70 108.09 2rnz s SER 17 Ca 0.33 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.86 2rnz s SER 17 Cb -0.09 -0.05 -0.23 0.00 0.10 0.00 0.00 66.02 65.74 2rnz s SER 17 CO 0.26 -0.13 1.23 0.58 0.98 0.00 0.00 173.24 176.16 2rnz h VAL 18 N 6.29 1.65 0.00 5.02 2.07 -2.00 -3.20 116.25 126.08 2rnz h VAL 18 Ca -0.45 -3.33 0.00 0.00 0.82 0.00 0.00 66.70 63.74 2rnz h VAL 18 Cb 1.12 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 2rnz h VAL 18 CO 0.47 0.95 0.00 -0.78 0.02 0.00 0.00 177.57 178.23 2rnz h ASP 19 N 0.02 0.00 -0.76 0.57 3.58 -2.05 -0.59 116.42 117.19 2rnz h ASP 19 Ca -0.05 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.16 2rnz h ASP 19 Cb 1.82 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.73 2rnz h ASP 19 CO 0.15 0.00 0.31 0.47 -2.88 0.00 0.00 179.24 177.28 2rnz n ASP 20 N -2.60 4.74 -4.53 2.28 9.92 -1.21 -4.93 116.55 120.23 2rnz n ASP 20 Ca -0.01 -3.23 -0.33 0.00 -0.53 0.00 0.00 54.79 50.69 2rnz n ASP 20 Cb 0.09 -0.75 -0.12 0.00 -0.64 0.00 0.00 41.12 39.70 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2rnz s ILE 21 N -2.96 3.34 0.22 0.53 1.01 -0.23 -5.05 121.20 118.06 2rnz s ILE 21 Ca 0.54 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2rnz s ILE 21 Cb 0.44 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.56 2rnz s ILE 21 CO 0.13 0.54 0.15 2.30 0.00 0.00 0.00 174.94 178.06 2rnz n ILE 22 N 2.10 0.00 -3.71 2.92 -5.35 -1.26 -5.09 119.36 108.98 2rnz n ILE 22 Ca -0.17 -0.90 -0.30 0.00 -0.27 0.00 0.00 62.75 61.11 2rnz n ILE 22 Cb 0.52 -0.25 -0.04 0.00 -1.74 0.00 0.00 39.64 38.14 2rnz n ILE 22 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2rnz s ILE 23 N -1.18 5.21 -1.29 7.28 -1.09 -1.26 -4.41 121.20 124.45 2rnz s ILE 23 Ca 0.11 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 2rnz s ILE 23 Cb -0.01 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2rnz s ILE 23 CO 0.07 -0.03 1.00 0.29 -1.23 0.00 0.00 174.94 175.03 2rnz n LYS 24 N -0.18 -6.61 -4.30 2.79 5.02 0.90 -5.00 118.16 110.78 2rnz n LYS 24 Ca -0.04 0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 56.81 2rnz n LYS 24 Cb 0.52 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.74 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rnz s GLN 26 N -3.64 4.17 -0.15 0.00 -2.07 -1.26 -1.22 119.66 115.49 2rnz s GLN 26 Ca 0.31 0.46 0.01 0.00 -1.82 0.00 0.00 55.36 54.32 2rnz s GLN 26 Cb -0.06 -3.58 0.02 0.00 -1.09 0.00 0.00 33.01 28.29 2rnz s GLN 26 CO 0.20 -0.21 -0.19 0.00 -1.32 0.00 0.00 175.29 173.76 2rnz s TRP 28 N 1.12 3.07 -0.38 0.00 0.52 -1.26 -1.21 118.94 120.81 2rnz s TRP 28 Ca -0.00 1.17 -0.14 0.00 0.02 0.00 0.00 56.10 57.15 2rnz s TRP 28 Cb -0.14 -3.43 0.01 0.00 -1.15 0.00 0.00 33.47 28.76 2rnz s TRP 28 CO -0.08 -1.34 0.28 0.08 0.02 0.00 0.00 176.95 175.91 2rnz s VAL 29 N 2.85 5.25 -0.49 4.03 1.01 0.83 -3.74 120.40 130.13 2rnz s VAL 29 Ca 0.54 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2rnz s VAL 29 Cb -0.22 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2rnz s VAL 29 CO 0.17 -0.20 0.50 -1.10 0.00 0.00 0.00 175.10 174.47 2rnz s GLN 30 N 1.69 3.03 0.75 2.72 -0.21 -1.26 -1.29 119.66 125.10 2rnz s GLN 30 Ca 0.05 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.11 2rnz s GLN 30 Cb -0.18 -4.14 0.04 0.00 1.00 0.00 0.00 33.01 29.73 2rnz s GLN 30 CO 0.10 -1.14 1.10 0.15 -2.12 0.00 0.00 175.29 173.39 2rnz s LYS 31 N 2.03 2.47 0.17 2.91 -0.14 -0.02 -4.97 119.74 122.20 2rnz s LYS 31 Ca 0.08 0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 55.02 2rnz s LYS 31 Cb -0.23 -1.97 0.12 0.00 -1.68 0.00 0.00 37.83 34.06 2rnz s LYS 31 CO 0.08 -1.32 1.67 -0.97 -0.76 0.00 0.00 175.35 174.05 2rnz h ASN 32 N -0.86 -0.37 0.00 2.83 -0.73 -2.00 -3.23 115.58 111.22 2rnz h ASN 32 Ca -0.46 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 57.82 2rnz h ASN 32 Cb 1.27 0.25 -0.03 0.00 0.27 0.00 0.00 38.32 40.08 2rnz h ASN 32 CO 0.62 -0.13 -0.40 -0.67 -0.37 0.00 0.00 177.43 176.49 2rnz n ASP 33 N -5.31 0.87 -3.96 1.15 2.03 -1.26 -5.08 116.55 105.00 2rnz n ASP 33 Ca 0.03 -2.42 -0.14 0.00 0.52 0.00 0.00 54.79 52.78 2rnz n ASP 33 Cb 0.23 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.25 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rnz s GLU 34 N -1.02 1.36 -0.04 -0.67 2.02 -1.22 -5.16 118.70 113.98 2rnz s GLU 34 Ca 0.14 -1.74 -0.02 0.00 0.02 0.00 0.00 54.97 53.38 2rnz s GLU 34 Cb 0.14 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.68 2rnz s GLU 34 CO -0.01 -0.47 0.06 -1.21 0.02 0.00 0.00 175.26 173.65 2rnz s GLU 35 N -3.95 -0.08 0.09 1.61 0.41 -1.26 -0.84 118.70 114.68 2rnz s GLU 35 Ca 0.39 0.38 -0.01 0.00 -0.41 0.00 0.00 54.97 55.33 2rnz s GLU 35 Cb 0.06 -0.51 -0.04 0.00 -1.78 0.00 0.00 34.13 31.86 2rnz s GLU 35 CO 0.16 -0.33 0.01 0.50 -0.49 0.00 0.00 175.26 175.12 2rnz s ARG 36 N 2.16 0.79 -0.06 1.61 6.06 -0.41 -4.98 118.95 124.13 2rnz s ARG 36 Ca 0.05 -1.34 0.05 0.00 -2.50 0.00 0.00 55.73 51.99 2rnz s ARG 36 Cb -0.12 0.20 -0.02 0.00 0.06 0.00 0.00 34.95 35.07 2rnz s ARG 36 CO -0.03 -0.18 -0.21 -1.17 -2.50 0.00 0.00 175.30 171.21 2rnz s LEU 37 N -2.99 2.35 0.04 -0.88 0.20 -1.26 -0.12 118.68 116.01 2rnz s LEU 37 Ca 0.16 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.63 2rnz s LEU 37 Cb 0.08 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 2rnz s LEU 37 CO -0.04 0.28 -0.10 0.00 -0.29 0.00 0.00 176.35 176.21 2rnz s ALA 38 N -0.36 0.79 0.14 5.97 0.00 -0.35 -4.85 121.76 123.10 2rnz s ALA 38 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2rnz s ALA 38 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2rnz s ALA 38 CO 0.02 0.08 0.25 -2.00 0.00 0.00 0.00 175.76 174.11 2rnz s GLU 39 N -1.34 3.33 -0.27 0.00 2.56 0.14 -0.60 118.70 122.52 2rnz s GLU 39 Ca -0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 54.97 54.18 2rnz s GLU 39 Cb -0.09 -2.91 -0.05 0.00 2.00 0.00 0.00 34.13 33.08 2rnz s GLU 39 CO 0.01 0.52 0.19 0.42 -0.56 0.00 0.00 175.26 175.85 2rnz s ILE 40 N -1.71 5.31 -0.12 -3.70 -1.09 -0.36 -0.51 121.20 119.03 2rnz s ILE 40 Ca 0.34 0.19 0.20 0.00 -2.23 0.00 0.00 60.65 59.15 2rnz s ILE 40 Cb -0.11 -3.53 -0.29 0.00 -1.58 0.00 0.00 42.46 36.95 2rnz s ILE 40 CO 0.27 0.27 0.27 0.18 -1.23 0.00 0.00 174.94 174.70 2rnz n LEU 41 N 4.90 0.00 -3.62 2.97 4.77 -0.48 -0.07 117.00 125.48 2rnz n LEU 41 Ca -0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 2rnz n LEU 41 Cb 0.52 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.85 2rnz n LEU 41 CO 0.34 0.26 1.09 -0.55 -1.33 0.00 0.00 177.39 177.19 2rnz s SER 42 N -5.03 -0.08 -0.04 -1.43 0.15 -1.26 -4.67 113.70 101.34 2rnz s SER 42 Ca -0.09 -0.00 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 2rnz s SER 42 Cb 0.10 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2rnz s SER 42 CO 0.87 -0.14 0.01 -0.63 1.20 0.00 0.00 173.24 174.55 2rnz s ILE 43 N -2.26 0.18 -0.21 6.45 1.01 -1.26 -0.77 121.20 124.34 2rnz s ILE 43 Ca 0.11 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 2rnz s ILE 43 Cb -0.01 -0.32 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 2rnz s ILE 43 CO -0.04 0.18 0.14 0.21 0.00 0.00 0.00 174.94 175.43 2rnz s ASN 44 N 1.44 6.19 -0.46 3.58 3.04 -1.00 -4.97 114.94 122.76 2rnz s ASN 44 Ca -0.04 0.21 0.03 0.00 0.04 0.00 0.00 52.86 53.10 2rnz s ASN 44 Cb -0.13 -2.10 0.45 0.00 -1.54 0.00 0.00 41.25 37.93 2rnz s ASN 44 CO -0.03 0.15 1.55 0.35 -3.04 0.00 0.00 177.10 176.08 2rnz n THR 45 N 3.70 2.99 -0.06 -5.21 -2.24 -1.26 -1.03 114.28 111.17 2rnz n THR 45 Ca -0.16 -3.76 -0.04 0.00 -2.27 0.00 0.00 64.05 57.83 2rnz n THR 45 Cb 0.52 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 2rnz n THR 45 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2rnz n ARG 46 N -0.77 0.67 -3.69 -0.78 0.63 -1.26 -4.98 116.66 106.47 2rnz n ARG 46 Ca 0.51 -0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 57.22 2rnz n ARG 46 Cb 0.81 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 2rnz n ARG 46 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2rnz s LYS 47 N -2.78 2.42 -0.15 -0.14 -0.14 -1.26 -5.06 119.74 112.62 2rnz s LYS 47 Ca -0.08 -1.69 -0.04 0.00 -1.36 0.00 0.00 55.97 52.80 2rnz s LYS 47 Cb 0.08 -2.27 0.05 0.00 -1.68 0.00 0.00 37.83 34.01 2rnz s LYS 47 CO 0.85 -0.31 0.06 0.00 -0.76 0.00 0.00 175.35 175.19 2rnz s ALA 48 N -2.57 0.63 0.96 5.17 0.00 -1.26 -2.35 121.76 122.34 2rnz s ALA 48 Ca 0.45 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2rnz s ALA 48 Cb -0.02 -1.01 0.16 0.00 0.00 0.00 0.00 23.12 22.25 2rnz s ALA 48 CO 0.26 -1.03 1.09 -1.25 0.00 0.00 0.00 175.76 174.84 2rnz s PRO 49 N 2.03 0.76 1.01 0.00 0.04 -1.26 -4.67 135.00 132.90 2rnz s PRO 49 Ca 0.02 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 2rnz s PRO 49 Cb -0.16 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.81 2rnz s PRO 49 CO -0.08 -2.53 1.09 -1.25 0.04 0.00 0.00 177.00 174.27 2rnz s PRO 50 N -4.96 0.34 0.35 0.56 0.04 -0.99 -4.99 135.00 125.36 2rnz s PRO 50 Ca 0.65 0.50 0.07 0.00 0.04 0.00 0.00 61.00 62.25 2rnz s PRO 50 Cb -0.18 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2rnz s PRO 50 CO 0.57 -2.79 0.49 0.15 0.04 0.00 0.00 177.00 175.47 2rnz s LYS 51 N -4.96 3.06 -0.09 4.56 -0.14 -0.20 -4.39 119.74 117.58 2rnz s LYS 51 Ca 0.65 -1.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.15 2rnz s LYS 51 Cb -0.19 -2.81 0.04 0.00 -1.68 0.00 0.00 37.83 33.19 2rnz s LYS 51 CO 0.58 -0.01 0.23 -0.06 -0.76 0.00 0.00 175.35 175.32 2rnz s PHE 52 N -2.22 -0.28 -0.44 3.18 0.40 0.45 -2.37 117.98 116.71 2rnz s PHE 52 Ca 0.47 0.68 -0.20 0.00 -0.60 0.00 0.00 56.93 57.28 2rnz s PHE 52 Cb -0.10 0.05 0.02 0.00 0.51 0.00 0.00 43.02 43.50 2rnz s PHE 52 CO 0.32 -0.18 0.62 -0.47 0.70 0.00 0.00 175.22 176.20 2rnz s TYR 53 N 0.84 3.08 -0.02 0.36 6.14 0.05 -0.10 117.35 127.70 2rnz s TYR 53 Ca -0.06 -0.10 -0.13 0.00 0.64 0.00 0.00 57.07 57.42 2rnz s TYR 53 Cb -0.07 -3.29 -0.05 0.00 0.42 0.00 0.00 41.96 38.97 2rnz s TYR 53 CO -0.05 -0.85 0.35 0.14 0.64 0.00 0.00 175.55 175.79 2rnz s VAL 54 N 2.73 5.13 0.03 3.14 -7.23 -0.31 -1.39 120.40 122.51 2rnz s VAL 54 Ca 0.21 0.68 0.03 0.00 -1.81 0.00 0.00 61.98 61.10 2rnz s VAL 54 Cb -0.14 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2rnz s VAL 54 CO 0.18 0.56 -0.11 -2.28 -0.31 0.00 0.00 175.10 173.15 2rnz s HIS 55 N -1.10 0.91 -0.23 2.82 2.46 0.34 -2.57 115.29 117.91 2rnz s HIS 55 Ca 0.23 -0.35 -0.06 0.00 0.47 0.00 0.00 55.06 55.35 2rnz s HIS 55 Cb -0.16 -0.55 -0.02 0.00 -0.13 0.00 0.00 32.58 31.73 2rnz s HIS 55 CO 0.12 -0.01 0.02 0.71 -2.47 0.00 0.00 174.74 173.11 2rnz s TYR 56 N -0.89 3.03 -0.03 3.88 1.51 -1.26 -0.69 117.35 122.90 2rnz s TYR 56 Ca -0.02 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 2rnz s TYR 56 Cb -0.07 -2.17 -0.24 0.00 -0.11 0.00 0.00 41.96 39.36 2rnz s TYR 56 CO 0.01 -0.41 0.70 -0.39 -1.11 0.00 0.00 175.55 174.34 2rnz h VAL 57 N 5.59 0.94 0.04 0.71 -1.51 -1.96 -3.38 116.25 116.68 2rnz h VAL 57 Ca -0.39 -2.71 -0.00 0.00 -1.23 0.00 0.00 66.70 62.36 2rnz h VAL 57 Cb 1.17 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 2rnz h VAL 57 CO 0.59 0.68 -0.02 -1.13 -1.23 0.00 0.00 177.57 176.46 2rnz h ASN 58 N 0.03 -0.05 -1.47 4.19 -1.24 -1.94 -3.49 115.58 111.61 2rnz h ASN 58 Ca -0.28 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 2rnz h ASN 58 Cb 2.00 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 41.06 2rnz h ASN 58 CO 0.10 -0.03 0.02 0.00 -1.29 0.00 0.00 177.43 176.23 2rnz n TYR 59 N -2.17 -0.97 -4.47 0.67 9.36 -1.26 -4.95 117.16 113.36 2rnz n TYR 59 Ca -0.01 -0.27 -0.41 0.00 3.32 0.00 0.00 57.90 60.53 2rnz n TYR 59 Cb 0.02 0.11 -0.07 0.00 -0.63 0.00 0.00 39.34 38.77 2rnz n TYR 59 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2rnz n ASN 60 N -1.41 -2.16 0.14 2.98 0.23 -1.26 -4.72 115.26 109.06 2rnz n ASN 60 Ca -0.01 -1.19 0.18 0.00 -0.53 0.00 0.00 54.58 53.03 2rnz n ASN 60 Cb 0.08 -1.87 0.78 0.00 -2.08 0.00 0.00 39.78 36.69 2rnz n ASN 60 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2rnz h LYS 61 N -1.02 0.00 -0.16 -3.83 2.10 -1.93 0.53 116.57 112.26 2rnz h LYS 61 Ca -0.60 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.10 2rnz h LYS 61 Cb 1.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.71 2rnz h LYS 61 CO 0.87 0.00 0.20 0.07 -2.00 0.00 0.00 179.45 178.59 2rnz h ARG 62 N 0.00 0.00 0.00 0.07 0.11 -1.91 0.24 114.38 112.89 2rnz h ARG 62 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 2rnz h ARG 62 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2rnz h ARG 62 CO -0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 2rnz n LEU 63 N -3.68 0.37 -4.51 0.08 7.99 0.18 -4.71 117.00 112.71 2rnz n LEU 63 Ca 0.01 0.60 -0.41 0.00 -0.01 0.00 0.00 56.01 56.20 2rnz n LEU 63 Cb 0.32 -0.57 -0.08 0.00 -0.11 0.00 0.00 43.42 42.98 2rnz n LEU 63 CO 0.26 -0.48 2.03 -0.67 -1.51 0.00 0.00 177.39 177.01 2rnz n ASP 64 N -1.92 1.70 -1.17 -1.43 -0.08 0.85 -4.85 116.55 109.64 2rnz n ASP 64 Ca 0.02 -0.06 -0.01 0.00 -1.51 0.00 0.00 54.79 53.23 2rnz n ASP 64 Cb 0.17 -1.31 -0.01 0.00 2.34 0.00 0.00 41.12 42.32 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2rnz n GLU 65 N 8.65 0.03 -3.53 -0.67 0.28 -1.06 -4.95 120.64 119.39 2rnz n GLU 65 Ca 0.46 -0.25 -0.31 0.00 -0.16 0.00 0.00 57.16 56.90 2rnz n GLU 65 Cb 0.31 0.21 -0.05 0.00 1.43 0.00 0.00 31.44 33.34 2rnz n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2rnz s TRP 66 N -2.25 3.45 0.35 -1.84 0.52 -1.26 -1.16 118.94 116.75 2rnz s TRP 66 Ca 0.03 0.71 -0.06 0.00 0.02 0.00 0.00 56.10 56.80 2rnz s TRP 66 Cb 0.00 -2.13 0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2rnz s TRP 66 CO 0.02 0.34 0.55 0.96 0.02 0.00 0.00 176.95 178.83 2rnz s ILE 67 N -1.77 0.00 0.39 2.03 -4.36 0.86 -4.93 121.20 113.42 2rnz s ILE 67 Ca 0.44 -1.46 0.05 0.00 -0.26 0.00 0.00 60.65 59.42 2rnz s ILE 67 Cb -0.12 -2.68 0.05 0.00 1.25 0.00 0.00 42.46 40.97 2rnz s ILE 67 CO 0.23 0.00 0.40 0.35 0.24 0.00 0.00 174.94 176.16 2rnz n THR 68 N -0.55 0.00 0.14 8.37 -2.24 -1.26 -0.41 114.28 118.33 2rnz n THR 68 Ca -0.01 -1.46 0.02 0.00 -2.27 0.00 0.00 64.05 60.32 2rnz n THR 68 Cb 0.61 -0.37 0.11 0.00 -2.10 0.00 0.00 70.33 68.58 2rnz n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rnz h THR 69 N 0.40 1.06 -0.16 4.28 1.03 -1.90 -3.15 112.91 114.47 2rnz h THR 69 Ca -0.22 -2.21 0.05 0.00 -0.01 0.00 0.00 66.41 64.02 2rnz h THR 69 Cb 0.89 2.32 -0.01 0.00 -1.07 0.00 0.00 68.15 70.28 2rnz h THR 69 CO 0.34 0.55 0.21 -0.78 -0.01 0.00 0.00 175.52 175.82 2rnz h ASP 70 N 0.00 0.00 0.20 0.00 3.58 -1.96 0.16 116.42 118.40 2rnz h ASP 70 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2rnz h ASP 70 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2rnz h ASP 70 CO 0.07 0.00 -1.37 0.54 -2.88 0.00 0.00 179.24 175.60 2rnz n ARG 71 N -3.67 0.37 -3.89 0.28 5.12 -1.19 -4.93 116.66 108.76 2rnz n ARG 71 Ca 0.01 -0.07 -0.35 0.00 -1.93 0.00 0.00 57.85 55.52 2rnz n ARG 71 Cb 0.32 -1.56 -0.05 0.00 -1.16 0.00 0.00 32.46 30.01 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2rnz s ILE 72 N -3.27 5.45 -0.55 0.55 1.01 0.55 -4.47 121.20 120.47 2rnz s ILE 72 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2rnz s ILE 72 Cb 0.14 -3.50 0.15 0.00 0.01 0.00 0.00 42.46 39.27 2rnz s ILE 72 CO 0.86 0.42 0.35 0.21 0.00 0.00 0.00 174.94 176.79 2rnz s ASN 73 N -1.63 3.86 0.06 3.58 2.47 -1.25 -4.87 114.94 117.16 2rnz s ASN 73 Ca 0.23 -3.23 -0.36 0.00 0.42 0.00 0.00 52.86 49.93 2rnz s ASN 73 Cb -0.12 -1.27 -0.15 0.00 -1.45 0.00 0.00 41.25 38.25 2rnz s ASN 73 CO 0.14 -0.18 1.53 0.18 -3.72 0.00 0.00 177.10 175.05 2rnz n LEU 74 N 2.76 2.46 -1.99 3.21 4.32 -1.26 -4.62 117.00 121.88 2rnz n LEU 74 Ca 0.15 1.09 -0.09 0.00 -0.02 0.00 0.00 56.01 57.14 2rnz n LEU 74 Cb 0.36 -1.29 0.28 0.00 -1.62 0.00 0.00 43.42 41.15 2rnz n LEU 74 CO 0.24 -0.59 1.07 0.47 -1.22 0.00 0.00 177.39 177.36 2rnz n ASP 75 N 3.60 4.50 -3.63 -1.43 9.92 -1.26 -4.94 116.55 123.30 2rnz n ASP 75 Ca 0.19 -3.33 -0.27 0.00 -0.53 0.00 0.00 54.79 50.86 2rnz n ASP 75 Cb 0.23 -0.76 0.20 0.00 -0.64 0.00 0.00 41.12 40.15 2rnz n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2rnz n LYS 76 N -0.42 -1.68 -1.81 -1.24 3.00 -1.26 -4.97 118.16 109.79 2rnz n LYS 76 Ca 0.44 -1.77 -0.42 0.00 -0.00 0.00 0.00 58.31 56.56 2rnz n LYS 76 Cb 1.42 -1.30 -0.02 0.00 0.00 0.00 0.00 35.03 35.13 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2rnz s GLU 77 N -5.51 4.15 0.12 1.64 -1.05 -1.26 -5.00 118.70 111.79 2rnz s GLU 77 Ca 0.67 2.54 0.03 0.00 -0.15 0.00 0.00 54.97 58.05 2rnz s GLU 77 Cb -0.03 -3.05 -0.04 0.00 -0.44 0.00 0.00 34.13 30.56 2rnz s GLU 77 CO 0.48 -0.63 -0.08 0.14 0.95 0.00 0.00 175.26 176.12 2rnz s VAL 78 N 0.34 0.91 -0.59 1.83 -7.23 -1.26 -4.74 120.40 109.66 2rnz s VAL 78 Ca 0.66 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2rnz s VAL 78 Cb -0.47 -1.73 0.15 0.00 0.56 0.00 0.00 36.38 34.89 2rnz s VAL 78 CO 0.43 -0.80 0.41 -0.76 -0.31 0.00 0.00 175.10 174.06 2rnz s LEU 79 N -3.06 5.32 -0.78 1.32 1.43 -1.26 -5.01 118.68 116.64 2rnz s LEU 79 Ca 0.13 -2.66 -0.04 0.00 -1.03 0.00 0.00 54.13 50.54 2rnz s LEU 79 Cb 0.04 -1.87 0.20 0.00 0.03 0.00 0.00 46.19 44.58 2rnz s LEU 79 CO -0.02 -0.42 0.64 -0.31 0.23 0.00 0.00 176.35 176.47 2rnz s TYR 80 N 0.23 3.67 1.14 0.29 1.51 -1.26 -5.02 117.35 117.91 2rnz s TYR 80 Ca 0.15 -2.76 -0.17 0.00 -1.01 0.00 0.00 57.07 53.27 2rnz s TYR 80 Cb -0.21 -3.31 0.26 0.00 -0.11 0.00 0.00 41.96 38.59 2rnz s TYR 80 CO -0.04 -0.82 1.10 -1.25 -1.11 0.00 0.00 175.55 173.44 2rnz s PRO 81 N -0.62 -0.74 -0.86 -1.71 0.04 -1.26 -4.92 135.00 124.94 2rnz s PRO 81 Ca 0.22 0.11 -0.25 0.00 0.04 0.00 0.00 61.00 61.12 2rnz s PRO 81 Cb -0.13 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2rnz s PRO 81 CO -0.08 -3.42 1.49 0.21 0.04 0.00 0.00 177.00 175.24 2rnz s LYS 82 N -5.26 3.22 0.11 4.56 2.47 -1.26 -4.96 119.74 118.63 2rnz s LYS 82 Ca 0.69 -0.52 0.04 0.00 -1.56 0.00 0.00 55.97 54.62 2rnz s LYS 82 Cb -0.13 -4.79 -0.04 0.00 -1.46 0.00 0.00 37.83 31.41 2rnz s LYS 82 CO 0.57 -2.38 -0.10 -0.48 0.16 0.00 0.00 175.35 173.11 2rnz s LEU 83 N 6.29 2.44 0.54 5.43 0.05 -1.26 -5.17 118.68 127.00 2rnz s LEU 83 Ca 0.47 -0.87 0.06 0.00 0.05 0.00 0.00 54.13 53.84 2rnz s LEU 83 Cb -0.05 -0.33 0.04 0.00 -2.05 0.00 0.00 46.19 43.80 2rnz s LEU 83 CO 0.03 -0.28 0.44 -1.59 -0.55 0.00 0.00 176.35 174.41 2rnz s LYS 84 N -3.07 2.27 0.86 1.48 -2.85 -1.26 -5.11 119.74 112.06 2rnz s LYS 84 Ca 0.09 -1.95 -0.10 0.00 -1.00 0.00 0.00 55.97 53.01 2rnz s LYS 84 Cb -0.01 -2.17 0.11 0.00 -2.06 0.00 0.00 37.83 33.70 2rnz s LYS 84 CO 0.00 -0.61 1.11 0.00 0.10 0.00 0.00 175.35 175.95 2rnz s ALA 85 N -2.74 1.75 0.32 0.59 0.00 -1.26 -5.02 121.76 115.39 2rnz s ALA 85 Ca 0.38 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 2rnz s ALA 85 Cb -0.03 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 2rnz s ALA 85 CO 0.23 -2.34 0.61 0.99 0.00 0.00 0.00 175.76 175.26 2rnz s THR 86 N -2.77 4.96 0.96 0.00 2.01 -1.26 -5.07 115.64 114.47 2rnz s THR 86 Ca 0.64 0.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.76 2rnz s THR 86 Cb -0.20 -3.73 0.17 0.00 0.01 0.00 0.00 72.50 68.75 2rnz s THR 86 CO 0.57 -0.37 1.12 -0.62 -0.69 0.00 0.00 174.62 174.64 2rnz s ASP 87 N -3.14 2.53 -0.18 3.53 2.15 -1.26 -5.05 116.67 115.26 2rnz s ASP 87 Ca 0.46 2.07 -0.28 0.00 0.43 0.00 0.00 52.55 55.23 2rnz s ASP 87 Cb -0.11 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 2rnz s ASP 87 CO 0.30 -3.33 0.80 -0.70 -0.17 0.00 0.00 175.17 172.07 2rnz s GLU 88 N -4.61 0.83 0.00 4.34 2.12 -1.26 -5.33 118.70 114.79 2rnz s GLU 88 Ca 0.67 0.53 0.03 0.00 0.36 0.00 0.00 54.97 56.57 2rnz s GLU 88 Cb -0.23 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.58 2rnz s GLU 88 CO 0.59 -0.19 0.61 -3.47 -0.54 0.00 0.00 175.26 172.26