#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 0.68 2.46 -5.12 0.00 -1.26 -5.18 105.19 96.77 2rnz n GLY -3 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 2rnz n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rnz n SER -2 N 0.00 -1.38 -3.64 1.61 7.64 -1.26 -5.18 113.62 111.41 2rnz n SER -2 Ca 0.00 -2.13 -0.08 0.00 1.01 0.00 0.00 58.87 57.67 2rnz n SER -2 Cb 0.00 2.35 -0.07 0.00 -1.01 0.00 0.00 64.21 65.48 2rnz n SER -2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rnz s SER -1 N -2.41 -0.66 0.19 6.43 1.04 -1.26 -5.18 113.70 111.85 2rnz s SER -1 Ca 0.13 1.15 0.11 0.00 0.48 0.00 0.00 55.95 57.82 2rnz s SER -1 Cb -0.03 1.23 -0.04 0.00 0.10 0.00 0.00 66.02 67.28 2rnz s SER -1 CO 0.10 -0.19 -0.20 -1.38 0.98 0.00 0.00 173.24 172.55 2rnz s HIS 0 N 0.94 2.40 -0.68 5.02 0.00 -1.26 -5.08 115.29 116.63 2rnz s HIS 0 Ca -0.04 -0.32 0.05 0.00 -3.00 0.00 0.00 55.06 51.74 2rnz s HIS 0 Cb -0.05 -1.19 0.29 0.00 -4.00 0.00 0.00 32.58 27.63 2rnz s HIS 0 CO -0.11 0.50 0.92 0.72 -1.00 0.00 0.00 174.74 175.77 2rnz n HIS 1 N 0.23 3.63 -3.69 0.38 -0.00 -1.26 -5.03 115.22 109.48 2rnz n HIS 1 Ca -0.12 -3.91 -0.38 0.00 -0.00 0.00 0.00 57.72 53.32 2rnz n HIS 1 Cb 0.56 -0.63 -0.12 0.00 -0.00 0.00 0.00 29.99 29.80 2rnz n HIS 1 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2rnz s HIS 2 N -2.90 3.15 0.37 4.41 2.46 -1.26 -5.09 115.29 116.42 2rnz s HIS 2 Ca 0.42 -0.44 0.08 0.00 0.47 0.00 0.00 55.06 55.59 2rnz s HIS 2 Cb 0.18 -2.31 -0.04 0.00 -0.13 0.00 0.00 32.58 30.28 2rnz s HIS 2 CO -0.05 -0.39 0.18 -1.01 -2.47 0.00 0.00 174.74 171.00 2rnz s HIS 3 N 1.63 2.68 -0.29 3.88 3.76 -1.26 -5.14 115.29 120.55 2rnz s HIS 3 Ca 0.05 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.27 2rnz s HIS 3 Cb -0.16 -1.77 0.16 0.00 1.11 0.00 0.00 32.58 31.92 2rnz s HIS 3 CO 0.06 0.25 1.26 -3.38 -0.85 0.00 0.00 174.74 172.08 2rnz s HIS 4 N -2.47 -0.24 -0.12 1.40 -3.43 -1.26 -5.18 115.29 103.99 2rnz s HIS 4 Ca 0.40 0.57 -0.14 0.00 -0.80 0.00 0.00 55.06 55.08 2rnz s HIS 4 Cb -0.01 0.43 0.04 0.00 -1.43 0.00 0.00 32.58 31.61 2rnz s HIS 4 CO 0.23 -0.12 0.39 -1.01 -2.00 0.00 0.00 174.74 172.23 2rnz s HIS 5 N 0.07 -0.40 -0.57 0.38 3.76 -1.26 -5.12 115.29 112.16 2rnz s HIS 5 Ca 0.06 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 55.90 2rnz s HIS 5 Cb -0.05 0.15 0.14 0.00 1.11 0.00 0.00 32.58 33.93 2rnz s HIS 5 CO -0.11 -0.25 0.34 -1.12 -0.85 0.00 0.00 174.74 172.75 2rnz s SER 6 N -0.10 4.71 0.36 1.40 0.01 -1.26 -5.05 113.70 113.77 2rnz s SER 6 Ca -0.03 -2.96 -0.14 0.00 1.31 0.00 0.00 55.95 54.13 2rnz s SER 6 Cb -0.03 -1.73 0.04 0.00 0.21 0.00 0.00 66.02 64.51 2rnz s SER 6 CO 0.01 -0.29 0.72 -0.44 0.41 0.00 0.00 173.24 173.66 2rnz s SER 7 N 0.10 0.11 -1.39 2.44 0.01 -1.26 -5.07 113.70 108.65 2rnz s SER 7 Ca 0.17 -1.13 -0.14 0.00 1.31 0.00 0.00 55.95 56.16 2rnz s SER 7 Cb -0.23 0.80 0.07 0.00 0.21 0.00 0.00 66.02 66.86 2rnz s SER 7 CO -0.01 -1.57 2.04 0.61 0.41 0.00 0.00 173.24 174.72 2rnz n GLY 8 N -0.52 3.97 3.38 3.44 0.00 -1.26 -4.92 105.19 109.28 2rnz n GLY 8 Ca -0.06 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 2rnz n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rnz s LEU 9 N 2.42 2.42 0.12 0.99 2.96 -1.26 -5.03 118.68 121.30 2rnz s LEU 9 Ca 0.48 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 2rnz s LEU 9 Cb 0.10 -1.47 -0.06 0.00 0.50 0.00 0.00 46.19 45.26 2rnz s LEU 9 CO -0.04 0.30 1.11 0.54 -1.32 0.00 0.00 176.35 176.94 2rnz s VAL 10 N -0.45 4.06 0.78 1.68 0.11 -1.26 -4.83 120.40 120.48 2rnz s VAL 10 Ca 0.05 1.63 -0.13 0.00 -2.93 0.00 0.00 61.98 60.60 2rnz s VAL 10 Cb -0.12 -4.04 0.19 0.00 -1.53 0.00 0.00 36.38 30.88 2rnz s VAL 10 CO 0.01 0.21 0.69 -0.81 -3.33 0.00 0.00 175.10 171.88 2rnz n PRO 11 N 3.07 -2.38 -4.39 1.54 -0.04 -1.26 -5.05 135.00 126.49 2rnz n PRO 11 Ca 0.05 -1.10 -0.22 0.00 -0.04 0.00 0.00 63.50 62.18 2rnz n PRO 11 Cb 0.47 -1.04 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 2rnz n PRO 11 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2rnz s ARG 12 N -4.56 1.45 0.00 0.54 1.70 -1.26 -5.10 118.95 111.71 2rnz s ARG 12 Ca 0.45 -1.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 2rnz s ARG 12 Cb -0.04 -1.49 0.00 0.00 -0.57 0.00 0.00 34.95 32.84 2rnz s ARG 12 CO 0.34 0.29 0.00 0.41 -1.08 0.00 0.00 175.30 175.26 2rnz n GLY 13 N -0.14 3.91 2.04 3.88 0.00 -1.26 -5.02 105.19 108.60 2rnz n GLY 13 Ca -0.09 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rnz n SER 14 N 0.00 4.22 -2.98 1.61 2.88 -1.26 -4.87 113.62 113.21 2rnz n SER 14 Ca 0.00 -3.36 -0.13 0.00 -1.33 0.00 0.00 58.87 54.04 2rnz n SER 14 Cb 0.00 -0.82 0.07 0.00 -0.75 0.00 0.00 64.21 62.71 2rnz n SER 14 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2rnz n HIS 15 N -0.80 -1.95 -4.39 0.66 -0.00 -1.26 -4.98 115.22 102.50 2rnz n HIS 15 Ca 0.50 0.74 -0.23 0.00 0.46 0.00 0.00 57.72 59.20 2rnz n HIS 15 Cb 1.34 -4.17 -0.11 0.00 -0.12 0.00 0.00 29.99 26.93 2rnz n HIS 15 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2rnz s MET 16 N -4.59 1.45 0.07 1.57 0.23 -1.26 -4.81 119.30 111.96 2rnz s MET 16 Ca 0.21 -1.57 0.02 0.00 -1.03 0.00 0.00 55.69 53.31 2rnz s MET 16 Cb -0.03 -1.51 -0.01 0.00 -1.53 0.00 0.00 34.83 31.76 2rnz s MET 16 CO 0.61 0.29 0.07 0.45 -2.03 0.00 0.00 175.02 174.41 2rnz n SER 17 N -0.12 -0.17 -0.06 -1.18 2.88 -1.26 -5.03 113.62 108.69 2rnz n SER 17 Ca -0.10 -1.48 0.15 0.00 -1.33 0.00 0.00 58.87 56.11 2rnz n SER 17 Cb 0.58 0.38 0.75 0.00 -0.75 0.00 0.00 64.21 65.18 2rnz n SER 17 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2rnz n VAL 18 N -0.14 0.00 0.31 2.46 3.14 -1.26 -3.68 118.33 119.16 2rnz n VAL 18 Ca 0.02 -0.03 0.19 0.00 -2.96 0.00 0.00 64.34 61.56 2rnz n VAL 18 Cb 0.13 -0.33 1.02 0.00 -1.06 0.00 0.00 33.84 33.61 2rnz n VAL 18 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2rnz h ASP 19 N 0.28 0.00 -0.66 6.55 1.82 -2.01 0.22 116.42 122.63 2rnz h ASP 19 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2rnz h ASP 19 Cb 0.24 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.19 2rnz h ASP 19 CO 0.00 0.00 0.14 0.47 -1.61 0.00 0.00 179.24 178.24 2rnz n ASP 20 N -3.25 5.30 -4.10 2.28 9.92 -1.24 -4.91 116.55 120.54 2rnz n ASP 20 Ca -0.02 -3.06 -0.20 0.00 -0.53 0.00 0.00 54.79 50.98 2rnz n ASP 20 Cb 0.19 -0.72 -0.14 0.00 -0.64 0.00 0.00 41.12 39.82 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 -2.85 0.99 0.18 0.53 1.01 0.78 -4.90 121.20 116.94 2rnz s ILE 21 Ca 0.54 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2rnz s ILE 21 Cb 0.42 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 2rnz s ILE 21 CO 0.15 0.10 0.02 2.30 0.00 0.00 0.00 174.94 177.50 2rnz n ILE 22 N 2.28 0.00 -3.52 2.92 -5.35 -1.26 -5.01 119.36 109.41 2rnz n ILE 22 Ca -0.16 -0.91 -0.34 0.00 -0.27 0.00 0.00 62.75 61.06 2rnz n ILE 22 Cb 0.55 0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.62 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 -1.81 5.04 -1.35 7.28 -1.09 -1.26 -4.18 121.20 123.83 2rnz s ILE 23 Ca 0.02 0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 2rnz s ILE 23 Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2rnz s ILE 23 CO 0.02 0.23 0.39 0.29 -1.23 0.00 0.00 174.94 174.64 2rnz n LYS 24 N 0.75 -3.46 -3.85 2.79 5.02 0.85 -5.00 118.16 115.26 2rnz n LYS 24 Ca -0.06 0.78 -0.21 0.00 -2.02 0.00 0.00 58.31 56.80 2rnz n LYS 24 Cb 0.52 -5.31 -0.03 0.00 -0.02 0.00 0.00 35.03 30.19 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 -3.98 4.14 -0.09 0.00 -2.07 -1.26 -0.15 119.66 116.26 2rnz s GLN 26 Ca 0.39 0.42 0.03 0.00 -1.82 0.00 0.00 55.36 54.39 2rnz s GLN 26 Cb -0.07 -3.60 0.00 0.00 -1.09 0.00 0.00 33.01 28.25 2rnz s GLN 26 CO 0.27 -0.26 -0.20 0.00 -1.32 0.00 0.00 175.29 173.78 2rnz s TRP 28 N 0.43 3.73 -0.38 0.00 0.52 -1.26 -1.26 118.94 120.71 2rnz s TRP 28 Ca -0.17 1.52 -0.14 0.00 0.02 0.00 0.00 56.10 57.33 2rnz s TRP 28 Cb -0.17 -2.87 0.01 0.00 -1.15 0.00 0.00 33.47 29.28 2rnz s TRP 28 CO 0.07 0.23 0.28 0.08 0.02 0.00 0.00 176.95 177.63 2rnz s VAL 29 N 0.08 5.27 -0.66 4.03 1.01 0.80 -4.42 120.40 126.51 2rnz s VAL 29 Ca 0.41 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2rnz s VAL 29 Cb -0.21 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2rnz s VAL 29 CO 0.24 -0.20 0.98 -1.58 0.00 0.00 0.00 175.10 174.54 2rnz s GLN 30 N 1.70 3.12 0.75 2.72 0.74 -0.85 -1.31 119.66 126.54 2rnz s GLN 30 Ca 0.05 -0.77 -0.12 0.00 0.05 0.00 0.00 55.36 54.58 2rnz s GLN 30 Cb -0.18 -4.22 0.04 0.00 1.10 0.00 0.00 33.01 29.75 2rnz s GLN 30 CO 0.10 -1.82 1.10 0.15 -0.55 0.00 0.00 175.29 174.27 2rnz s LYS 31 N 4.17 2.48 0.17 1.67 -0.14 -0.70 -4.76 119.74 122.63 2rnz s LYS 31 Ca 0.23 0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 55.18 2rnz s LYS 31 Cb -0.16 -1.97 0.12 0.00 -1.68 0.00 0.00 37.83 34.13 2rnz s LYS 31 CO 0.11 -1.31 1.67 -0.97 -0.76 0.00 0.00 175.35 174.08 2rnz h ASN 32 N -0.86 -0.36 0.00 2.83 -1.24 -1.97 -3.26 115.58 110.72 2rnz h ASN 32 Ca -0.46 0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.63 2rnz h ASN 32 Cb 1.27 0.25 -0.11 0.00 0.73 0.00 0.00 38.32 40.46 2rnz h ASN 32 CO 0.62 -0.13 -0.59 -0.67 -1.29 0.00 0.00 177.43 175.38 2rnz n ASP 33 N -5.30 0.64 -3.50 1.15 -0.08 -1.26 -5.09 116.55 103.11 2rnz n ASP 33 Ca 0.03 -2.24 -0.18 0.00 -1.51 0.00 0.00 54.79 50.89 2rnz n ASP 33 Cb 0.23 -0.27 -0.08 0.00 2.34 0.00 0.00 41.12 43.33 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2rnz s GLU 34 N -0.52 1.66 -0.06 -0.67 0.41 -1.23 -5.16 118.70 113.13 2rnz s GLU 34 Ca 0.15 -1.95 -0.02 0.00 -0.41 0.00 0.00 54.97 52.74 2rnz s GLU 34 Cb 0.16 0.32 0.03 0.00 -1.78 0.00 0.00 34.13 32.86 2rnz s GLU 34 CO -0.05 -0.61 0.06 -1.21 -0.49 0.00 0.00 175.26 172.97 2rnz s GLU 35 N -3.56 -0.06 0.36 1.61 8.01 -1.26 -1.71 118.70 122.09 2rnz s GLU 35 Ca 0.40 0.32 0.05 0.00 0.01 0.00 0.00 54.97 55.75 2rnz s GLU 35 Cb 0.03 -0.68 -0.06 0.00 -4.31 0.00 0.00 34.13 29.11 2rnz s GLU 35 CO 0.25 -0.37 0.05 0.50 0.01 0.00 0.00 175.26 175.69 2rnz s ARG 36 N 2.16 1.78 -0.02 1.61 3.52 -0.43 -4.99 118.95 122.58 2rnz s ARG 36 Ca 0.05 -2.00 -0.00 0.00 -0.13 0.00 0.00 55.73 53.64 2rnz s ARG 36 Cb -0.12 -1.10 0.03 0.00 -1.56 0.00 0.00 34.95 32.20 2rnz s ARG 36 CO -0.04 -0.17 0.03 -1.17 -0.81 0.00 0.00 175.30 173.14 2rnz s LEU 37 N -3.57 1.05 0.13 -0.88 2.96 -1.26 -0.14 118.68 116.97 2rnz s LEU 37 Ca 0.34 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2rnz s LEU 37 Cb 0.09 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 2rnz s LEU 37 CO 0.16 -0.13 0.05 0.00 -1.32 0.00 0.00 176.35 175.11 2rnz s ALA 38 N 1.10 0.88 0.22 5.97 0.00 -0.39 -4.89 121.76 124.64 2rnz s ALA 38 Ca -0.09 -1.47 0.05 0.00 0.00 0.00 0.00 51.96 50.44 2rnz s ALA 38 Cb -0.13 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2rnz s ALA 38 CO -0.03 -0.48 0.33 -2.00 0.00 0.00 0.00 175.76 173.58 2rnz s GLU 39 N -4.04 3.40 -0.21 0.00 2.56 0.22 -0.36 118.70 120.26 2rnz s GLU 39 Ca 0.24 -0.74 -0.10 0.00 0.00 0.00 0.00 54.97 54.37 2rnz s GLU 39 Cb 0.07 -2.89 -0.05 0.00 2.00 0.00 0.00 34.13 33.27 2rnz s GLU 39 CO 0.02 0.45 0.14 0.42 -0.56 0.00 0.00 175.26 175.73 2rnz s ILE 40 N -1.93 5.39 0.00 -3.70 -1.09 0.79 -0.28 121.20 120.38 2rnz s ILE 40 Ca 0.34 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2rnz s ILE 40 Cb -0.09 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2rnz s ILE 40 CO 0.29 0.41 0.00 0.18 -1.23 0.00 0.00 174.94 174.58 2rnz n LEU 41 N 3.78 0.00 -4.37 2.97 4.77 -0.36 -0.10 117.00 123.69 2rnz n LEU 41 Ca -0.16 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.61 2rnz n LEU 41 Cb 0.52 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 2rnz n LEU 41 CO 0.36 -0.49 -0.47 -0.55 -1.33 0.00 0.00 177.39 174.91 2rnz s SER 42 N -4.18 2.85 0.00 -1.43 0.15 -1.26 -4.41 113.70 105.42 2rnz s SER 42 Ca 0.00 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.74 2rnz s SER 42 Cb 0.00 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 2rnz s SER 42 CO 0.00 -0.06 -0.14 -0.63 1.20 0.00 0.00 173.24 173.61 2rnz s ILE 43 N -2.45 1.07 -0.06 6.45 -1.09 -1.26 -0.96 121.20 122.90 2rnz s ILE 43 Ca 0.21 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 57.91 2rnz s ILE 43 Cb -0.04 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2rnz s ILE 43 CO 0.08 0.23 0.16 0.20 -1.23 0.00 0.00 174.94 174.39 2rnz s ASN 44 N -0.50 6.38 -0.02 3.58 0.01 -1.20 -5.00 114.94 118.19 2rnz s ASN 44 Ca 0.04 0.41 0.16 0.00 -0.71 0.00 0.00 52.86 52.76 2rnz s ASN 44 Cb -0.06 -2.03 0.29 0.00 0.41 0.00 0.00 41.25 39.86 2rnz s ASN 44 CO -0.00 0.33 1.12 0.35 -1.51 0.00 0.00 177.10 177.39 2rnz n THR 45 N 1.42 0.28 -0.06 1.60 -2.24 -1.26 -3.85 114.28 110.17 2rnz n THR 45 Ca -0.15 -0.94 -0.03 0.00 -2.27 0.00 0.00 64.05 60.66 2rnz n THR 45 Cb 0.54 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.44 2rnz n THR 45 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2rnz h ARG 46 N 0.64 0.00 -6.30 -0.78 2.43 -1.96 -3.48 114.38 104.93 2rnz h ARG 46 Ca -0.13 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.45 2rnz h ARG 46 Cb 1.62 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 31.05 2rnz h ARG 46 CO 0.06 0.00 -0.69 -1.59 -1.51 0.00 0.00 179.97 176.24 2rnz s LYS 47 N -1.92 2.13 0.11 0.20 -2.85 -1.26 -5.14 119.74 111.02 2rnz s LYS 47 Ca -0.08 -1.40 0.06 0.00 -1.00 0.00 0.00 55.97 53.55 2rnz s LYS 47 Cb 0.01 -2.11 -0.04 0.00 -2.06 0.00 0.00 37.83 33.63 2rnz s LYS 47 CO 0.12 0.39 -0.05 0.00 0.10 0.00 0.00 175.35 175.91 2rnz s ALA 48 N -2.11 3.13 0.91 0.59 0.00 -1.26 -3.94 121.76 119.08 2rnz s ALA 48 Ca 0.29 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2rnz s ALA 48 Cb -0.07 -1.02 0.14 0.00 0.00 0.00 0.00 23.12 22.16 2rnz s ALA 48 CO 0.17 0.64 1.09 -1.25 0.00 0.00 0.00 175.76 176.41 2rnz s PRO 49 N -2.38 1.14 0.52 0.00 0.04 -1.26 -4.72 135.00 128.33 2rnz s PRO 49 Ca 0.24 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2rnz s PRO 49 Cb -0.11 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2rnz s PRO 49 CO 0.16 -2.31 1.14 -1.25 0.04 0.00 0.00 177.00 174.78 2rnz s PRO 50 N -4.94 3.46 0.44 0.56 0.04 -1.25 -4.96 135.00 128.34 2rnz s PRO 50 Ca 0.64 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2rnz s PRO 50 Cb -0.18 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2rnz s PRO 50 CO 0.57 -0.77 0.26 0.15 0.04 0.00 0.00 177.00 177.25 2rnz s LYS 51 N -3.13 2.31 -0.07 4.56 -0.14 -1.25 -3.93 119.74 118.09 2rnz s LYS 51 Ca 0.70 -1.81 -0.06 0.00 -1.36 0.00 0.00 55.97 53.44 2rnz s LYS 51 Cb -0.25 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.83 2rnz s LYS 51 CO 0.29 -0.22 0.18 -0.06 -0.76 0.00 0.00 175.35 174.78 2rnz s PHE 52 N -2.60 -0.19 -0.43 3.18 0.08 -0.49 -3.23 117.98 114.30 2rnz s PHE 52 Ca 0.41 0.47 -0.21 0.00 0.12 0.00 0.00 56.93 57.71 2rnz s PHE 52 Cb 0.01 0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.55 2rnz s PHE 52 CO 0.23 -0.10 0.66 -0.47 -0.10 0.00 0.00 175.22 175.44 2rnz s TYR 53 N 0.06 3.07 0.17 0.36 6.14 -0.13 -1.41 117.35 125.61 2rnz s TYR 53 Ca -0.00 0.01 -0.17 0.00 0.64 0.00 0.00 57.07 57.54 2rnz s TYR 53 Cb -0.01 -3.36 -0.08 0.00 0.42 0.00 0.00 41.96 38.93 2rnz s TYR 53 CO 0.00 -0.86 0.64 0.14 0.64 0.00 0.00 175.55 176.11 2rnz s VAL 54 N 2.86 4.70 0.04 3.14 -7.23 0.93 -1.23 120.40 123.61 2rnz s VAL 54 Ca 0.23 1.09 0.02 0.00 -1.81 0.00 0.00 61.98 61.52 2rnz s VAL 54 Cb -0.14 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.96 2rnz s VAL 54 CO 0.19 0.26 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.89 2rnz s HIS 55 N -1.45 0.62 -0.27 2.82 2.46 0.61 -1.66 115.29 118.43 2rnz s HIS 55 Ca 0.39 -0.51 -0.11 0.00 0.47 0.00 0.00 55.06 55.30 2rnz s HIS 55 Cb -0.16 -0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 31.86 2rnz s HIS 55 CO 0.20 -0.10 0.18 -0.47 -2.47 0.00 0.00 174.74 172.08 2rnz s TYR 56 N -1.44 3.24 0.55 3.88 5.04 -1.26 -0.61 117.35 126.74 2rnz s TYR 56 Ca -0.10 0.13 0.25 0.00 -2.44 0.00 0.00 57.07 54.90 2rnz s TYR 56 Cb -0.10 -2.36 1.47 0.00 0.35 0.00 0.00 41.96 41.33 2rnz s TYR 56 CO 0.00 -0.12 2.07 -0.39 -1.34 0.00 0.00 175.55 175.78 2rnz h VAL 57 N 5.30 0.69 -3.60 3.14 -1.51 -1.92 -3.43 116.25 114.92 2rnz h VAL 57 Ca -0.36 0.00 -0.45 0.00 -1.23 0.00 0.00 66.70 64.67 2rnz h VAL 57 Cb 1.19 0.84 0.17 0.00 -2.13 0.00 0.00 31.29 31.35 2rnz h VAL 57 CO 0.57 0.00 0.38 0.21 -1.23 0.00 0.00 177.57 177.51 2rnz s ASN 58 N -6.24 3.00 -1.16 4.19 2.47 -1.26 -4.95 114.94 110.98 2rnz s ASN 58 Ca -0.05 0.05 -0.19 0.00 0.42 0.00 0.00 52.86 53.09 2rnz s ASN 58 Cb 0.17 -0.04 0.08 0.00 -1.45 0.00 0.00 41.25 40.02 2rnz s ASN 58 CO 0.64 -2.79 1.56 -0.47 -3.72 0.00 0.00 177.10 172.32 2rnz s TYR 59 N -3.85 2.81 -0.30 0.43 5.04 -1.26 -4.83 117.35 115.39 2rnz s TYR 59 Ca 0.76 -1.41 -0.04 0.00 -2.44 0.00 0.00 57.07 53.94 2rnz s TYR 59 Cb -0.02 -4.65 0.19 0.00 0.35 0.00 0.00 41.96 37.83 2rnz s TYR 59 CO 0.53 -1.78 0.74 -0.80 -1.34 0.00 0.00 175.55 172.90 2rnz s ASN 60 N 4.26 -1.13 0.13 4.32 0.01 -1.26 -5.02 114.94 116.24 2rnz s ASN 60 Ca 0.48 0.60 0.15 0.00 -0.71 0.00 0.00 52.86 53.39 2rnz s ASN 60 Cb 0.01 1.90 -0.08 0.00 0.41 0.00 0.00 41.25 43.50 2rnz s ASN 60 CO -0.00 -0.21 1.05 0.11 -1.51 0.00 0.00 177.10 176.53 2rnz h LYS 61 N 7.96 0.00 -0.74 -0.60 6.56 -1.93 -3.31 116.57 124.52 2rnz h LYS 61 Ca -0.17 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.63 2rnz h LYS 61 Cb 1.17 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.80 2rnz h LYS 61 CO 0.14 0.41 0.53 0.07 -2.06 0.00 0.00 179.45 178.54 2rnz h ARG 62 N 0.00 0.02 0.00 3.15 0.11 -2.00 0.10 114.38 115.76 2rnz h ARG 62 Ca -0.11 -0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.71 2rnz h ARG 62 Cb 1.55 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 32.58 2rnz h ARG 62 CO 0.06 0.02 -1.60 1.25 0.10 0.00 0.00 179.97 179.79 2rnz h LEU 63 N 0.03 0.00 -8.21 0.08 5.85 -1.97 -3.43 115.31 107.66 2rnz h LEU 63 Ca 0.35 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.82 2rnz h LEU 63 Cb 1.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2rnz h LEU 63 CO -0.01 0.91 0.65 -0.62 -0.34 0.00 0.00 178.44 179.02 2rnz s ASP 64 N -6.05 4.89 0.15 1.25 2.15 0.36 -4.72 116.67 114.70 2rnz s ASP 64 Ca -0.04 -0.71 0.03 0.00 0.43 0.00 0.00 52.55 52.27 2rnz s ASP 64 Cb 0.08 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2rnz s ASP 64 CO 0.82 -3.01 0.12 -1.84 -0.17 0.00 0.00 175.17 171.09 2rnz n GLU 65 N 8.76 0.23 -4.59 4.34 0.28 -0.66 -4.95 120.64 124.05 2rnz n GLU 65 Ca 0.42 -1.51 -0.34 0.00 -0.16 0.00 0.00 57.16 55.57 2rnz n GLU 65 Cb 0.46 1.20 -0.12 0.00 1.43 0.00 0.00 31.44 34.42 2rnz n GLU 65 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 177.13 178.64 2rnz s TRP 66 N -2.58 2.94 0.35 -1.84 1.48 -1.26 -0.05 118.94 117.97 2rnz s TRP 66 Ca 0.17 -0.20 0.05 0.00 -1.06 0.00 0.00 56.10 55.06 2rnz s TRP 66 Cb 0.01 -1.81 -0.02 0.00 -1.16 0.00 0.00 33.47 30.49 2rnz s TRP 66 CO 0.12 0.11 0.17 0.44 -4.06 0.00 0.00 176.95 173.73 2rnz n ILE 67 N 2.89 0.00 -3.00 0.66 -5.35 -0.50 -4.95 119.36 109.11 2rnz n ILE 67 Ca -0.18 -2.15 -0.04 0.00 -0.27 0.00 0.00 62.75 60.12 2rnz n ILE 67 Cb 0.53 0.86 0.01 0.00 -1.74 0.00 0.00 39.64 39.30 2rnz n ILE 67 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2rnz n THR 68 N -0.75 0.00 0.80 7.28 -2.24 -1.26 -1.40 114.28 116.70 2rnz n THR 68 Ca -0.02 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2rnz n THR 68 Cb 0.55 -0.91 0.46 0.00 -2.10 0.00 0.00 70.33 68.33 2rnz n THR 68 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2rnz n THR 69 N -1.26 0.30 0.18 4.28 5.66 -1.25 -3.47 114.28 118.71 2rnz n THR 69 Ca 0.03 -0.15 0.18 0.00 -3.05 0.00 0.00 64.05 61.06 2rnz n THR 69 Cb 0.12 -0.46 0.81 0.00 -1.55 0.00 0.00 70.33 69.25 2rnz n THR 69 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2rnz h ASP 70 N 0.00 0.00 0.00 1.09 3.58 -1.94 -2.01 116.42 117.14 2rnz h ASP 70 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2rnz h ASP 70 Cb 0.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2rnz h ASP 70 CO 0.00 0.00 -1.56 0.54 -2.88 0.00 0.00 179.24 175.34 2rnz n ARG 71 N -3.75 1.26 -3.79 0.28 5.12 -1.24 -4.95 116.66 109.59 2rnz n ARG 71 Ca 0.03 -0.05 -0.36 0.00 -1.93 0.00 0.00 57.85 55.53 2rnz n ARG 71 Cb 0.40 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.51 4.68 -0.12 0.55 1.01 -0.75 -2.00 121.20 122.06 2rnz s ILE 72 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2rnz s ILE 72 Cb 0.05 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2rnz s ILE 72 CO 0.42 0.35 -0.23 0.21 0.00 0.00 0.00 174.94 175.70 2rnz s ASN 73 N 1.28 3.07 0.48 3.58 2.47 -1.26 -4.55 114.94 120.01 2rnz s ASN 73 Ca 0.05 -0.58 -0.22 0.00 0.42 0.00 0.00 52.86 52.54 2rnz s ASN 73 Cb -0.15 -1.41 -0.09 0.00 -1.45 0.00 0.00 41.25 38.15 2rnz s ASN 73 CO 0.04 0.11 0.86 0.18 -3.72 0.00 0.00 177.10 174.58 2rnz n LEU 74 N 3.81 2.19 0.00 3.21 7.99 -1.26 -4.89 117.00 128.05 2rnz n LEU 74 Ca -0.20 0.92 0.00 0.00 -0.01 0.00 0.00 56.01 56.72 2rnz n LEU 74 Cb 0.52 -1.30 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 2rnz n LEU 74 CO 0.27 -2.01 0.00 -0.67 -1.51 0.00 0.00 177.39 173.47 2rnz n ASP 75 N 0.34 0.00 -4.55 -1.43 2.03 -1.26 -5.01 116.55 106.67 2rnz n ASP 75 Ca 0.11 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.10 2rnz n ASP 75 Cb 0.42 -0.30 0.15 0.00 -0.72 0.00 0.00 41.12 40.67 2rnz n ASP 75 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2rnz n LYS 76 N -2.09 -0.38 -1.93 -0.67 2.85 -1.26 -4.97 118.16 109.71 2rnz n LYS 76 Ca 0.00 -0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 56.88 2rnz n LYS 76 Cb 0.00 -2.13 0.02 0.00 -0.65 0.00 0.00 35.03 32.27 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2rnz s GLU 77 N -4.15 3.24 0.02 -1.58 -1.05 -1.26 -5.02 118.70 108.90 2rnz s GLU 77 Ca 0.62 1.12 -0.26 0.00 -0.15 0.00 0.00 54.97 56.30 2rnz s GLU 77 Cb -0.22 -2.03 -0.05 0.00 -0.44 0.00 0.00 34.13 31.40 2rnz s GLU 77 CO 0.63 -0.87 0.79 0.54 0.95 0.00 0.00 175.26 177.30 2rnz s VAL 78 N -2.63 4.79 -0.33 1.83 0.11 -1.26 -4.97 120.40 117.94 2rnz s VAL 78 Ca 0.62 1.68 -0.12 0.00 -2.93 0.00 0.00 61.98 61.22 2rnz s VAL 78 Cb -0.15 -4.14 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 2rnz s VAL 78 CO 0.42 0.32 0.23 -0.22 -3.33 0.00 0.00 175.10 172.51 2rnz s LEU 79 N 0.23 4.40 -0.63 2.54 0.20 -1.26 -5.03 118.68 119.13 2rnz s LEU 79 Ca 0.40 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.92 2rnz s LEU 79 Cb -0.20 -2.13 0.15 0.00 -0.43 0.00 0.00 46.19 43.58 2rnz s LEU 79 CO 0.23 -0.19 0.41 -0.31 -0.29 0.00 0.00 176.35 176.19 2rnz s TYR 80 N 1.73 3.40 -0.05 5.38 2.02 -1.26 -5.08 117.35 123.49 2rnz s TYR 80 Ca 0.06 -3.17 -0.30 0.00 -0.37 0.00 0.00 57.07 53.30 2rnz s TYR 80 Cb -0.17 -2.87 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 2rnz s TYR 80 CO 0.10 -0.69 1.49 -1.25 -1.57 0.00 0.00 175.55 173.64 2rnz s PRO 81 N -0.76 4.23 0.25 -1.71 0.04 -1.26 -4.95 135.00 130.83 2rnz s PRO 81 Ca 0.21 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2rnz s PRO 81 Cb -0.16 -3.77 -0.14 0.00 0.04 0.00 0.00 34.50 30.46 2rnz s PRO 81 CO -0.07 -0.72 1.25 1.17 0.04 0.00 0.00 177.00 178.67 2rnz n LYS 82 N 6.31 1.69 -3.97 4.56 4.81 -1.26 -4.99 118.16 125.31 2rnz n LYS 82 Ca 0.15 0.60 -0.15 0.00 -0.87 0.00 0.00 58.31 58.04 2rnz n LYS 82 Cb 0.43 -2.15 -0.15 0.00 0.02 0.00 0.00 35.03 33.18 2rnz n LYS 82 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2rnz s LEU 83 N 0.16 1.73 -0.11 3.14 1.43 -1.26 -5.12 118.68 118.65 2rnz s LEU 83 Ca 0.66 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2rnz s LEU 83 Cb -0.70 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2rnz s LEU 83 CO 0.54 -0.01 1.53 -0.75 0.23 0.00 0.00 176.35 177.89 2rnz s LYS 84 N 0.29 4.14 0.31 1.70 2.47 -1.26 -4.98 119.74 122.41 2rnz s LYS 84 Ca -0.03 1.95 -0.29 0.00 -1.56 0.00 0.00 55.97 56.05 2rnz s LYS 84 Cb -0.05 -3.93 -0.10 0.00 -1.46 0.00 0.00 37.83 32.29 2rnz s LYS 84 CO -0.01 -0.87 1.17 0.00 0.16 0.00 0.00 175.35 175.80 2rnz s ALA 85 N 4.05 3.41 0.05 3.13 0.00 -1.26 -5.05 121.76 126.10 2rnz s ALA 85 Ca 0.68 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 2rnz s ALA 85 Cb -0.29 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2rnz s ALA 85 CO 0.25 -0.34 -0.01 0.95 0.00 0.00 0.00 175.76 176.61 2rnz s THR 86 N -1.18 0.19 -0.02 0.00 -4.23 -1.26 -5.16 115.64 103.98 2rnz s THR 86 Ca 0.47 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2rnz s THR 86 Cb -0.34 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2rnz s THR 86 CO 0.44 -0.89 -0.06 -1.81 -0.54 0.00 0.00 174.62 171.76 2rnz s ASP 87 N -2.65 0.89 -1.35 3.99 1.01 -1.26 -5.07 116.67 112.23 2rnz s ASP 87 Ca 0.03 -0.13 -0.16 0.00 0.71 0.00 0.00 52.55 52.99 2rnz s ASP 87 Cb 0.05 -0.23 0.06 0.00 1.01 0.00 0.00 42.92 43.81 2rnz s ASP 87 CO -0.08 0.04 1.89 -0.62 0.21 0.00 0.00 175.17 176.61 2rnz n GLU 88 N 3.32 3.10 0.00 8.23 -0.58 -1.26 -5.36 120.64 128.08 2rnz n GLU 88 Ca -0.18 -3.08 0.09 0.00 -0.42 0.00 0.00 57.16 53.57 2rnz n GLU 88 Cb 0.55 -3.41 0.07 0.00 -0.57 0.00 0.00 31.44 28.08 2rnz n GLU 88 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25