#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 4.71 2.63 3.03 0.00 -1.26 -4.84 105.19 109.47 2rnz n GLY -3 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.60 -5.05 -0.04 1.61 2.88 -1.26 -4.83 113.62 105.34 2rnz n SER -2 Ca 0.00 0.11 -0.21 0.00 -1.33 0.00 0.00 58.87 57.44 2rnz n SER -2 Cb 0.00 -2.94 -0.13 0.00 -0.75 0.00 0.00 64.21 60.39 2rnz n SER -2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rnz n SER -1 N -0.63 2.07 -1.09 -3.46 7.64 -1.26 -4.36 113.62 112.53 2rnz n SER -1 Ca -0.04 0.14 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 2rnz n SER -1 Cb 0.40 -0.76 0.21 0.00 -1.01 0.00 0.00 64.21 63.05 2rnz n SER -1 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2rnz n HIS 0 N -3.51 1.07 -3.23 1.43 -0.00 -1.26 -4.25 115.22 105.47 2rnz n HIS 0 Ca -0.36 -1.41 -0.32 0.00 -0.00 0.00 0.00 57.72 55.63 2rnz n HIS 0 Cb 1.01 -0.45 -0.05 0.00 -0.00 0.00 0.00 29.99 30.50 2rnz n HIS 0 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rnz n HIS 1 N -0.98 3.27 -0.08 4.41 -0.00 -1.26 -4.73 115.22 115.85 2rnz n HIS 1 Ca 0.30 -3.64 -0.08 0.00 -0.00 0.00 0.00 57.72 54.30 2rnz n HIS 1 Cb 1.01 -0.77 -0.12 0.00 -0.00 0.00 0.00 29.99 30.10 2rnz n HIS 1 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2rnz n HIS 2 N 0.83 0.00 -1.91 4.41 -0.00 -1.26 -4.97 115.22 112.32 2rnz n HIS 2 Ca 0.30 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 58.06 2rnz n HIS 2 Cb 0.38 -0.78 -0.02 0.00 -0.12 0.00 0.00 29.99 29.46 2rnz n HIS 2 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rnz s HIS 3 N -2.38 2.86 -0.95 1.57 2.46 -1.26 -4.87 115.29 112.73 2rnz s HIS 3 Ca -0.08 1.00 -0.24 0.00 0.47 0.00 0.00 55.06 56.20 2rnz s HIS 3 Cb 0.05 -3.92 -0.06 0.00 -0.13 0.00 0.00 32.58 28.51 2rnz s HIS 3 CO 0.64 -2.96 1.98 -1.58 -2.47 0.00 0.00 174.74 170.35 2rnz s HIS 4 N -0.28 1.78 -0.64 3.88 2.46 -1.26 -4.86 115.29 116.36 2rnz s HIS 4 Ca 0.59 0.73 0.01 0.00 0.47 0.00 0.00 55.06 56.86 2rnz s HIS 4 Cb -0.44 -3.98 0.16 0.00 -0.13 0.00 0.00 32.58 28.18 2rnz s HIS 4 CO 0.49 -1.62 0.43 -1.58 -2.47 0.00 0.00 174.74 169.99 2rnz s HIS 5 N 10.71 3.41 -0.11 3.88 5.65 -1.26 -4.85 115.29 132.72 2rnz s HIS 5 Ca 0.72 -3.06 0.20 0.00 0.25 0.00 0.00 55.06 53.17 2rnz s HIS 5 Cb -0.06 -2.97 -0.30 0.00 -1.18 0.00 0.00 32.58 28.08 2rnz s HIS 5 CO 0.03 -0.73 0.29 0.45 -0.65 0.00 0.00 174.74 174.13 2rnz n SER 6 N 2.89 0.07 -3.33 9.88 2.88 -1.26 -5.02 113.62 119.74 2rnz n SER 6 Ca 0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 2rnz n SER 6 Cb 0.35 1.54 0.09 0.00 -0.75 0.00 0.00 64.21 65.43 2rnz n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rnz n SER 7 N -2.47 -2.32 -4.77 -3.46 2.88 -1.26 -5.02 113.62 97.20 2rnz n SER 7 Ca -0.17 -0.60 -0.25 0.00 -1.33 0.00 0.00 58.87 56.52 2rnz n SER 7 Cb 0.83 -4.96 -0.06 0.00 -0.75 0.00 0.00 64.21 59.27 2rnz n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rnz s GLY 8 N -4.25 2.39 -0.30 0.46 0.00 -1.26 -5.07 107.32 99.29 2rnz s GLY 8 Ca 0.03 -1.86 0.14 0.00 0.00 0.00 0.00 44.72 43.03 2rnz s GLY 8 CO 0.70 -1.93 1.12 1.04 0.00 0.00 0.00 173.10 174.03 2rnz n LEU 9 N -1.32 3.15 -4.56 0.66 4.77 -1.26 -5.08 117.00 113.36 2rnz n LEU 9 Ca -0.02 -4.00 -0.26 0.00 -0.03 0.00 0.00 56.01 51.70 2rnz n LEU 9 Cb 0.65 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.71 2rnz n LEU 9 CO 0.44 1.63 -0.42 0.68 -1.33 0.00 0.00 177.39 178.40 2rnz s VAL 10 N -4.21 3.06 0.23 4.08 -7.23 -1.26 -4.51 120.40 110.55 2rnz s VAL 10 Ca 0.38 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2rnz s VAL 10 Cb 0.38 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2rnz s VAL 10 CO -0.02 -0.20 1.59 1.55 -0.31 0.00 0.00 175.10 177.72 2rnz h PRO 11 N 2.66 0.49 -5.78 4.82 0.13 -1.98 -3.44 132.00 128.91 2rnz h PRO 11 Ca -0.45 -0.26 -0.65 0.00 -0.87 0.00 0.00 66.00 63.77 2rnz h PRO 11 Cb 1.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2rnz h PRO 11 CO 0.55 0.84 -0.41 1.03 -0.23 0.00 0.00 178.00 179.79 2rnz s ARG 12 N -4.16 3.56 -0.04 0.86 1.81 -1.26 -5.04 118.95 114.68 2rnz s ARG 12 Ca -0.07 -0.03 -0.02 0.00 -1.72 0.00 0.00 55.73 53.89 2rnz s ARG 12 Cb 0.12 -3.16 -0.01 0.00 -0.45 0.00 0.00 34.95 31.45 2rnz s ARG 12 CO 0.82 0.73 -0.04 0.78 -0.68 0.00 0.00 175.30 176.90 2rnz h GLY 13 N 4.63 0.00 -7.27 -3.53 0.00 -2.04 -3.46 103.07 91.40 2rnz h GLY 13 Ca -0.53 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.14 2rnz h GLY 13 CO 0.61 0.00 -0.11 -1.35 0.00 0.00 0.00 176.54 175.69 2rnz s SER 14 N -4.06 6.26 0.12 0.19 1.04 -1.26 -5.00 113.70 110.98 2rnz s SER 14 Ca -0.04 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 55.84 2rnz s SER 14 Cb 0.00 -2.25 0.08 0.00 0.10 0.00 0.00 66.02 63.96 2rnz s SER 14 CO 0.05 -0.53 1.11 -1.38 0.98 0.00 0.00 173.24 173.47 2rnz s HIS 15 N 2.31 0.04 0.38 5.02 -0.00 -1.26 -5.02 115.29 116.77 2rnz s HIS 15 Ca 0.16 -0.35 0.06 0.00 -0.00 0.00 0.00 55.06 54.93 2rnz s HIS 15 Cb -0.16 0.65 0.06 0.00 -0.00 0.00 0.00 32.58 33.14 2rnz s HIS 15 CO 0.14 -0.72 0.53 -1.33 -0.00 0.00 0.00 174.74 173.36 2rnz n MET 16 N -0.73 0.74 -3.14 -0.38 2.81 -1.25 -5.08 117.12 110.09 2rnz n MET 16 Ca -0.02 -2.07 -0.13 0.00 -1.81 0.00 0.00 57.70 53.67 2rnz n MET 16 Cb 0.59 -0.16 -0.03 0.00 -0.71 0.00 0.00 33.22 32.92 2rnz n MET 16 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2rnz n SER 17 N -2.55 1.90 0.07 7.83 7.64 -1.26 -5.01 113.62 122.24 2rnz n SER 17 Ca 0.11 -1.99 0.09 0.00 1.01 0.00 0.00 58.87 58.09 2rnz n SER 17 Cb 0.40 0.30 0.40 0.00 -1.01 0.00 0.00 64.21 64.30 2rnz n SER 17 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2rnz n VAL 18 N -0.49 0.99 0.23 0.44 3.14 -1.26 -2.64 118.33 118.74 2rnz n VAL 18 Ca -0.06 0.30 0.17 0.00 -2.96 0.00 0.00 64.34 61.78 2rnz n VAL 18 Cb 0.28 -1.17 0.85 0.00 -1.06 0.00 0.00 33.84 32.74 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 0.00 0.00 -0.56 6.55 3.58 -2.04 0.23 116.42 124.19 2rnz h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rnz h ASP 19 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2rnz h ASP 19 CO 0.00 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.83 2rnz n ASP 20 N -3.82 5.25 -4.10 2.28 8.00 -1.08 -4.92 116.55 118.15 2rnz n ASP 20 Ca 0.00 -2.81 -0.19 0.00 0.71 0.00 0.00 54.79 52.50 2rnz n ASP 20 Cb 0.26 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rnz s ILE 21 N -2.51 0.96 0.17 0.53 1.01 0.82 -5.08 121.20 117.10 2rnz s ILE 21 Ca 0.52 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2rnz s ILE 21 Cb 0.38 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 2rnz s ILE 21 CO 0.17 0.08 0.01 2.30 0.00 0.00 0.00 174.94 177.51 2rnz n ILE 22 N 2.26 0.00 -3.43 2.92 -5.35 -1.26 -4.95 119.36 109.55 2rnz n ILE 22 Ca -0.16 -0.86 -0.32 0.00 -0.27 0.00 0.00 62.75 61.14 2rnz n ILE 22 Cb 0.55 0.20 -0.05 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.75 4.95 -1.83 7.28 -1.09 -1.26 -4.09 121.20 123.41 2rnz s ILE 23 Ca 0.02 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 2rnz s ILE 23 Cb 0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2rnz s ILE 23 CO 0.01 -0.08 0.00 0.29 -1.23 0.00 0.00 174.94 173.94 2rnz n LYS 24 N -0.16 -1.64 -3.62 2.79 5.02 0.91 -4.97 118.16 116.48 2rnz n LYS 24 Ca 0.00 1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 56.99 2rnz n LYS 24 Cb 0.52 -5.66 -0.05 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.15 4.16 -0.01 0.00 -2.07 -1.26 -0.60 119.66 117.73 2rnz s GLN 26 Ca 0.35 0.47 0.06 0.00 -1.82 0.00 0.00 55.36 54.42 2rnz s GLN 26 Cb -0.13 -3.60 -0.02 0.00 -1.09 0.00 0.00 33.01 28.17 2rnz s GLN 26 CO 0.20 -0.26 -0.19 0.00 -1.32 0.00 0.00 175.29 173.72 2rnz s TRP 28 N -0.49 3.58 -0.38 0.00 0.52 -1.26 -1.21 118.94 119.69 2rnz s TRP 28 Ca 0.07 1.19 -0.14 0.00 0.02 0.00 0.00 56.10 57.23 2rnz s TRP 28 Cb -0.07 -2.74 0.01 0.00 -1.15 0.00 0.00 33.47 29.51 2rnz s TRP 28 CO -0.00 0.13 0.28 0.08 0.02 0.00 0.00 176.95 177.46 2rnz s VAL 29 N 0.67 5.26 0.45 4.03 1.01 0.84 -3.73 120.40 128.94 2rnz s VAL 29 Ca 0.35 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 2rnz s VAL 29 Cb -0.17 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 2rnz s VAL 29 CO 0.17 -0.20 1.07 0.00 0.00 0.00 0.00 175.10 176.13 2rnz s GLN 30 N 1.71 3.90 0.23 2.72 0.00 -1.26 -0.98 119.66 125.98 2rnz s GLN 30 Ca 0.06 1.50 0.04 0.00 -0.00 0.00 0.00 55.36 56.95 2rnz s GLN 30 Cb -0.18 -2.30 -0.05 0.00 0.00 0.00 0.00 33.01 30.47 2rnz s GLN 30 CO 0.10 -0.37 -0.01 0.21 0.00 0.00 0.00 175.29 175.22 2rnz s LYS 31 N -2.88 1.34 0.07 9.60 2.36 -0.88 -4.85 119.74 124.50 2rnz s LYS 31 Ca 0.64 -1.67 -0.24 0.00 -2.55 0.00 0.00 55.97 52.14 2rnz s LYS 31 Cb -0.21 -0.64 -0.10 0.00 -1.05 0.00 0.00 37.83 35.83 2rnz s LYS 31 CO 0.25 -0.08 1.39 -0.91 1.55 0.00 0.00 175.35 177.55 2rnz h ASN 32 N 2.47 -1.13 0.00 1.43 2.35 -2.04 -3.31 115.58 115.35 2rnz h ASN 32 Ca -0.38 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2rnz h ASN 32 Cb 1.22 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 40.00 2rnz h ASN 32 CO 0.65 -0.39 -0.23 0.47 -1.65 0.00 0.00 177.43 176.28 2rnz n ASP 33 N -4.57 1.52 -3.45 5.81 8.00 -1.26 -5.07 116.55 117.54 2rnz n ASP 33 Ca -0.06 -2.77 -0.18 0.00 0.71 0.00 0.00 54.79 52.49 2rnz n ASP 33 Cb 0.29 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rnz s GLU 34 N -1.90 1.70 -0.06 -1.24 2.02 -1.25 -5.16 118.70 112.80 2rnz s GLU 34 Ca 0.23 -1.96 -0.03 0.00 0.02 0.00 0.00 54.97 53.23 2rnz s GLU 34 Cb 0.20 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.79 2rnz s GLU 34 CO 0.01 -0.63 0.07 -1.21 0.02 0.00 0.00 175.26 173.52 2rnz s GLU 35 N -3.51 -0.06 0.39 1.61 8.01 -1.26 -2.06 118.70 121.82 2rnz s GLU 35 Ca 0.40 0.30 0.08 0.00 0.01 0.00 0.00 54.97 55.76 2rnz s GLU 35 Cb 0.03 -0.74 -0.06 0.00 -4.31 0.00 0.00 34.13 29.05 2rnz s GLU 35 CO 0.26 -0.39 0.09 0.50 0.01 0.00 0.00 175.26 175.72 2rnz s ARG 36 N 2.17 2.11 -0.01 1.61 3.52 -0.15 -5.00 118.95 123.19 2rnz s ARG 36 Ca 0.04 -1.90 -0.00 0.00 -0.13 0.00 0.00 55.73 53.75 2rnz s ARG 36 Cb -0.13 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.41 2rnz s ARG 36 CO -0.04 -0.03 0.02 -1.17 -0.81 0.00 0.00 175.30 173.27 2rnz s LEU 37 N -3.80 1.43 0.27 -0.88 2.96 -1.26 -0.11 118.68 117.30 2rnz s LEU 37 Ca 0.38 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2rnz s LEU 37 Cb 0.05 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.67 2rnz s LEU 37 CO 0.20 -0.08 0.21 0.00 -1.32 0.00 0.00 176.35 175.36 2rnz s ALA 38 N 0.65 1.58 0.27 5.97 0.00 -0.35 -4.74 121.76 125.14 2rnz s ALA 38 Ca -0.05 -1.90 0.10 0.00 0.00 0.00 0.00 51.96 50.11 2rnz s ALA 38 Cb -0.08 1.42 -0.05 0.00 0.00 0.00 0.00 23.12 24.41 2rnz s ALA 38 CO -0.02 -0.62 -0.17 -2.00 0.00 0.00 0.00 175.76 172.95 2rnz s GLU 39 N -3.77 1.59 -0.25 0.00 2.12 0.04 -0.72 118.70 117.71 2rnz s GLU 39 Ca 0.40 -1.74 -0.10 0.00 0.36 0.00 0.00 54.97 53.89 2rnz s GLU 39 Cb 0.04 -1.55 -0.05 0.00 0.26 0.00 0.00 34.13 32.83 2rnz s GLU 39 CO 0.20 0.26 0.16 0.42 -0.54 0.00 0.00 175.26 175.76 2rnz s ILE 40 N -2.67 5.32 -0.03 -3.70 -1.09 0.23 -0.10 121.20 119.16 2rnz s ILE 40 Ca 0.28 0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.84 2rnz s ILE 40 Cb -0.03 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2rnz s ILE 40 CO 0.13 0.33 -0.06 0.18 -1.23 0.00 0.00 174.94 174.29 2rnz n LEU 41 N 4.40 0.36 -4.53 2.97 4.77 -0.45 -0.06 117.00 124.45 2rnz n LEU 41 Ca -0.15 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 2rnz n LEU 41 Cb 0.52 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2rnz n LEU 41 CO 0.35 -0.46 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.10 2rnz s SER 42 N -4.35 3.19 -0.02 -1.43 0.15 -1.26 -4.42 113.70 105.56 2rnz s SER 42 Ca -0.05 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2rnz s SER 42 Cb 0.01 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2rnz s SER 42 CO 0.08 -0.47 0.02 -0.63 1.20 0.00 0.00 173.24 173.44 2rnz s ILE 43 N -2.95 -0.00 -0.15 6.45 1.01 -1.26 -1.35 121.20 122.94 2rnz s ILE 43 Ca 0.35 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 2rnz s ILE 43 Cb 0.08 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.44 2rnz s ILE 43 CO 0.16 0.07 -0.08 0.21 0.00 0.00 0.00 174.94 175.31 2rnz s ASN 44 N 0.77 4.41 -0.39 3.58 3.04 -0.85 -5.01 114.94 120.49 2rnz s ASN 44 Ca -0.07 -0.24 0.05 0.00 0.04 0.00 0.00 52.86 52.64 2rnz s ASN 44 Cb -0.10 -1.70 0.45 0.00 -1.54 0.00 0.00 41.25 38.36 2rnz s ASN 44 CO -0.02 0.15 1.40 0.35 -3.04 0.00 0.00 177.10 175.94 2rnz n THR 45 N 3.64 2.80 -0.05 -5.21 -2.24 -1.26 -1.41 114.28 110.55 2rnz n THR 45 Ca -0.18 -3.96 -0.03 0.00 -2.27 0.00 0.00 64.05 57.61 2rnz n THR 45 Cb 0.52 -1.15 -0.15 0.00 -2.10 0.00 0.00 70.33 67.45 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 -0.74 0.67 -3.58 -0.78 0.63 -1.26 -4.98 116.66 106.61 2rnz n ARG 46 Ca 0.48 0.01 -0.22 0.00 -0.92 0.00 0.00 57.85 57.21 2rnz n ARG 46 Cb 0.87 -1.59 -0.02 0.00 0.45 0.00 0.00 32.46 32.17 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 -2.80 2.45 -0.15 -0.14 -0.14 -1.26 -5.06 119.74 112.64 2rnz s LYS 47 Ca -0.08 -1.65 -0.04 0.00 -1.36 0.00 0.00 55.97 52.84 2rnz s LYS 47 Cb 0.08 -2.34 0.05 0.00 -1.68 0.00 0.00 37.83 33.94 2rnz s LYS 47 CO 0.84 -0.35 0.07 0.00 -0.76 0.00 0.00 175.35 175.16 2rnz s ALA 48 N -2.55 0.52 0.96 5.17 0.00 -1.26 -2.49 121.76 122.11 2rnz s ALA 48 Ca 0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2rnz s ALA 48 Cb -0.03 -0.97 0.17 0.00 0.00 0.00 0.00 23.12 22.28 2rnz s ALA 48 CO 0.27 -1.01 1.09 -1.25 0.00 0.00 0.00 175.76 174.87 2rnz s PRO 49 N 2.08 0.74 0.96 0.00 0.04 -1.26 -4.73 135.00 132.82 2rnz s PRO 49 Ca 0.02 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 2rnz s PRO 49 Cb -0.15 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.79 2rnz s PRO 49 CO -0.08 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.26 2rnz s PRO 50 N -4.95 0.75 0.37 0.56 0.04 -1.04 -4.99 135.00 125.75 2rnz s PRO 50 Ca 0.65 0.64 0.08 0.00 0.04 0.00 0.00 61.00 62.40 2rnz s PRO 50 Cb -0.18 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2rnz s PRO 50 CO 0.57 -2.54 0.33 0.15 0.04 0.00 0.00 177.00 175.55 2rnz s LYS 51 N -4.95 2.62 -0.09 4.56 1.02 -0.50 -4.40 119.74 118.00 2rnz s LYS 51 Ca 0.65 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 2rnz s LYS 51 Cb -0.18 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 2rnz s LYS 51 CO 0.57 -0.05 0.22 -0.06 -0.92 0.00 0.00 175.35 175.12 2rnz s PHE 52 N -2.39 -0.26 -0.27 3.18 0.40 0.82 -2.02 117.98 117.44 2rnz s PHE 52 Ca 0.44 0.64 -0.22 0.00 -0.60 0.00 0.00 56.93 57.19 2rnz s PHE 52 Cb -0.04 0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.54 2rnz s PHE 52 CO 0.27 -0.15 0.72 -0.47 0.70 0.00 0.00 175.22 176.29 2rnz s TYR 53 N 0.47 3.25 0.18 0.36 6.14 -0.46 -0.84 117.35 126.46 2rnz s TYR 53 Ca -0.03 0.84 -0.04 0.00 0.64 0.00 0.00 57.07 58.49 2rnz s TYR 53 Cb -0.04 -3.02 -0.05 0.00 0.42 0.00 0.00 41.96 39.27 2rnz s TYR 53 CO -0.02 -0.43 0.42 0.14 0.64 0.00 0.00 175.55 176.29 2rnz s VAL 54 N 2.72 5.14 0.09 3.14 -7.23 -0.49 -1.35 120.40 122.43 2rnz s VAL 54 Ca 0.30 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2rnz s VAL 54 Cb -0.15 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 2rnz s VAL 54 CO 0.10 -0.08 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.46 2rnz s HIS 55 N -1.79 0.90 0.54 2.82 2.46 0.86 -3.27 115.29 117.82 2rnz s HIS 55 Ca 0.41 -0.82 0.09 0.00 0.47 0.00 0.00 55.06 55.21 2rnz s HIS 55 Cb -0.12 -0.52 0.09 0.00 -0.13 0.00 0.00 32.58 31.91 2rnz s HIS 55 CO 0.26 -0.11 0.75 2.48 -2.47 0.00 0.00 174.74 175.65 2rnz n TYR 56 N 0.21 -2.35 0.00 3.88 4.11 -1.26 -0.78 117.16 120.97 2rnz n TYR 56 Ca -0.14 -1.97 0.00 0.00 -0.00 0.00 0.00 57.90 55.79 2rnz n TYR 56 Cb 0.60 -0.51 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 2rnz n TYR 56 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 2rnz n VAL 57 N -2.18 0.00 0.00 -3.48 0.24 -1.26 -4.80 118.33 106.85 2rnz n VAL 57 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 2rnz n VAL 57 Cb 0.56 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 2rnz n VAL 57 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2rnz n ASN 58 N -2.01 0.00 -4.90 -1.34 4.05 -1.26 -5.14 115.26 104.67 2rnz n ASN 58 Ca 0.00 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.79 2rnz n ASN 58 Cb 0.28 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.28 2rnz n ASN 58 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2rnz s TYR 59 N -1.01 2.01 -0.87 1.20 5.04 -1.26 -4.80 117.35 117.66 2rnz s TYR 59 Ca 0.00 -0.70 -0.05 0.00 -2.44 0.00 0.00 57.07 53.88 2rnz s TYR 59 Cb 0.00 -2.03 -0.06 0.00 0.35 0.00 0.00 41.96 40.23 2rnz s TYR 59 CO 0.00 -0.38 0.76 0.09 -1.34 0.00 0.00 175.55 174.68 2rnz n ASN 60 N -1.71 -5.88 0.12 4.32 3.02 -1.26 -4.86 115.26 109.01 2rnz n ASN 60 Ca 0.02 -0.59 -0.02 0.00 -0.03 0.00 0.00 54.58 53.96 2rnz n ASN 60 Cb 0.63 -4.43 0.07 0.00 -0.61 0.00 0.00 39.78 35.44 2rnz n ASN 60 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2rnz h LYS 61 N -0.89 0.00 0.00 3.52 2.10 -2.00 -3.08 116.57 116.22 2rnz h LYS 61 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2rnz h LYS 61 Cb 1.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2rnz h LYS 61 CO 0.37 0.71 -0.07 0.07 -2.00 0.00 0.00 179.45 178.52 2rnz h ARG 62 N 0.00 0.00 0.00 0.07 0.11 -2.01 -1.35 114.38 111.19 2rnz h ARG 62 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rnz h ARG 62 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2rnz h ARG 62 CO 0.09 0.07 0.00 1.28 0.10 0.00 0.00 179.97 181.51 2rnz n LEU 63 N -3.42 0.07 -4.08 0.08 7.99 -1.16 -4.34 117.00 112.13 2rnz n LEU 63 Ca -0.02 0.52 -0.39 0.00 -0.01 0.00 0.00 56.01 56.11 2rnz n LEU 63 Cb 0.21 -0.51 -0.03 0.00 -0.11 0.00 0.00 43.42 42.98 2rnz n LEU 63 CO 0.27 -0.26 2.05 -0.67 -1.51 0.00 0.00 177.39 177.27 2rnz n ASP 64 N -1.57 3.43 -1.03 -1.43 2.03 -0.51 -4.72 116.55 112.75 2rnz n ASP 64 Ca 0.04 -2.77 -0.00 0.00 0.52 0.00 0.00 54.79 52.58 2rnz n ASP 64 Cb 0.19 -1.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.07 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2rnz n GLU 65 N 7.42 0.01 -3.05 -0.67 0.28 -1.20 -4.90 120.64 118.51 2rnz n GLU 65 Ca 0.49 -0.04 -0.37 0.00 -0.16 0.00 0.00 57.16 57.08 2rnz n GLU 65 Cb 0.43 0.04 -0.06 0.00 1.43 0.00 0.00 31.44 33.27 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 -2.10 3.68 0.26 -1.84 0.52 -1.26 -1.40 118.94 116.81 2rnz s TRP 66 Ca 0.01 1.46 -0.03 0.00 0.02 0.00 0.00 56.10 57.55 2rnz s TRP 66 Cb 0.00 -2.67 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2rnz s TRP 66 CO 0.00 0.34 0.39 0.44 0.02 0.00 0.00 176.95 178.14 2rnz n ILE 67 N 0.81 0.00 -4.55 2.03 -5.35 -0.02 -4.95 119.36 107.34 2rnz n ILE 67 Ca -0.02 -1.18 -0.25 0.00 -0.27 0.00 0.00 62.75 61.02 2rnz n ILE 67 Cb 0.51 0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 39.07 2rnz n ILE 67 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2rnz s THR 68 N -2.65 1.74 0.55 7.28 -4.23 -1.26 -0.12 115.64 116.95 2rnz s THR 68 Ca 0.19 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 58.93 2rnz s THR 68 Cb -0.01 -2.86 0.37 0.00 1.34 0.00 0.00 72.50 71.34 2rnz s THR 68 CO 0.14 -0.04 2.04 0.00 -0.54 0.00 0.00 174.62 176.21 2rnz h THR 69 N 1.94 0.66 -0.23 3.99 1.03 -1.89 0.37 112.91 118.78 2rnz h THR 69 Ca -0.43 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.04 2rnz h THR 69 Cb 1.24 0.79 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 2rnz h THR 69 CO 0.76 0.00 0.23 -0.78 -0.01 0.00 0.00 175.52 175.72 2rnz h ASP 70 N 0.00 0.00 0.23 0.00 3.58 -1.95 0.16 116.42 118.43 2rnz h ASP 70 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2rnz h ASP 70 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2rnz h ASP 70 CO -0.00 0.00 -1.24 0.54 -2.88 0.00 0.00 179.24 175.66 2rnz n ARG 71 N -3.89 0.30 -3.89 0.28 5.12 0.11 -4.92 116.66 109.78 2rnz n ARG 71 Ca 0.03 -0.05 -0.35 0.00 -1.93 0.00 0.00 57.85 55.55 2rnz n ARG 71 Cb 0.37 -1.55 -0.05 0.00 -1.16 0.00 0.00 32.46 30.06 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 -3.22 5.46 -1.17 0.55 1.01 0.55 -4.38 121.20 120.00 2rnz s ILE 72 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 2rnz s ILE 72 Cb 0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2rnz s ILE 72 CO 0.84 0.44 1.98 -3.20 0.00 0.00 0.00 174.94 175.01 2rnz n ASN 73 N 1.36 3.53 -4.00 3.58 5.15 -1.24 -4.81 115.26 118.82 2rnz n ASN 73 Ca -0.14 -2.78 -0.38 0.00 -0.60 0.00 0.00 54.58 50.68 2rnz n ASN 73 Cb 0.54 -1.52 -0.04 0.00 -0.53 0.00 0.00 39.78 38.22 2rnz n ASN 73 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2rnz n LEU 74 N 8.48 4.91 -1.47 1.20 7.94 -1.26 -4.73 117.00 132.07 2rnz n LEU 74 Ca 0.49 -5.19 0.03 0.00 -1.11 0.00 0.00 56.01 50.23 2rnz n LEU 74 Cb 0.42 -1.13 0.06 0.00 0.53 0.00 0.00 43.42 43.30 2rnz n LEU 74 CO 0.88 1.65 0.12 0.47 -1.11 0.00 0.00 177.39 179.39 2rnz n ASP 75 N 1.86 1.35 -4.45 1.96 8.00 -1.26 -3.90 116.55 120.10 2rnz n ASP 75 Ca 0.25 -2.47 -0.31 0.00 0.71 0.00 0.00 54.79 52.97 2rnz n ASP 75 Cb 0.37 -0.37 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 2rnz n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2rnz n LYS 76 N -0.00 -1.34 -0.95 -1.24 4.76 -1.26 -4.93 118.16 113.19 2rnz n LYS 76 Ca 0.10 -0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 54.86 2rnz n LYS 76 Cb 1.01 -2.03 0.13 0.00 -1.84 0.00 0.00 35.03 32.30 2rnz n LYS 76 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2rnz n GLU 77 N -3.38 -0.06 -3.91 1.97 0.28 -1.26 -4.84 120.64 109.43 2rnz n GLU 77 Ca 0.05 0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 2rnz n GLU 77 Cb 0.55 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.06 2rnz n GLU 77 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2rnz s VAL 78 N -2.29 0.11 -0.83 3.84 -7.23 -1.26 -5.03 120.40 107.72 2rnz s VAL 78 Ca 0.68 -0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 2rnz s VAL 78 Cb -0.27 -0.54 0.20 0.00 0.56 0.00 0.00 36.38 36.33 2rnz s VAL 78 CO 0.56 -0.48 0.81 -0.76 -0.31 0.00 0.00 175.10 174.92 2rnz s LEU 79 N -1.63 6.46 -0.77 1.32 1.43 -1.26 -4.97 118.68 119.25 2rnz s LEU 79 Ca -0.12 -2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 50.41 2rnz s LEU 79 Cb -0.06 -2.24 0.20 0.00 0.03 0.00 0.00 46.19 44.11 2rnz s LEU 79 CO -0.01 -0.67 0.63 -0.31 0.23 0.00 0.00 176.35 176.23 2rnz s TYR 80 N 0.65 3.66 -0.21 0.29 1.51 -1.26 -5.05 117.35 116.95 2rnz s TYR 80 Ca 0.19 -2.78 -0.29 0.00 -1.01 0.00 0.00 57.07 53.18 2rnz s TYR 80 Cb -0.10 -3.30 -0.03 0.00 -0.11 0.00 0.00 41.96 38.42 2rnz s TYR 80 CO -0.08 -0.81 1.60 -1.25 -1.11 0.00 0.00 175.55 173.90 2rnz s PRO 81 N -0.63 3.84 0.02 -1.71 0.04 -1.26 -5.00 135.00 130.30 2rnz s PRO 81 Ca 0.22 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2rnz s PRO 81 Cb -0.13 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 2rnz s PRO 81 CO -0.08 -1.24 -0.25 0.21 0.04 0.00 0.00 177.00 175.68 2rnz s LYS 82 N 4.58 1.80 0.49 4.56 2.47 -1.26 -5.15 119.74 127.23 2rnz s LYS 82 Ca 0.71 -1.01 0.08 0.00 -1.56 0.00 0.00 55.97 54.18 2rnz s LYS 82 Cb -0.25 -1.89 0.02 0.00 -1.46 0.00 0.00 37.83 34.25 2rnz s LYS 82 CO 0.29 0.50 0.51 -0.51 0.16 0.00 0.00 175.35 176.30 2rnz s LEU 83 N -1.02 3.20 -0.73 5.43 2.01 -1.26 -5.00 118.68 121.30 2rnz s LEU 83 Ca 0.10 -0.84 -0.26 0.00 0.01 0.00 0.00 54.13 53.14 2rnz s LEU 83 Cb -0.10 -1.84 -0.09 0.00 0.01 0.00 0.00 46.19 44.18 2rnz s LEU 83 CO 0.01 -0.94 2.23 -0.54 1.01 0.00 0.00 176.35 178.12 2rnz s LYS 84 N -4.33 2.06 0.22 1.70 3.01 -1.26 -4.91 119.74 116.23 2rnz s LYS 84 Ca 0.49 0.53 -0.31 0.00 -1.01 0.00 0.00 55.97 55.67 2rnz s LYS 84 Cb -0.05 -4.75 -0.10 0.00 -1.01 0.00 0.00 37.83 31.92 2rnz s LYS 84 CO 0.30 -3.72 1.50 0.00 0.51 0.00 0.00 175.35 173.94 2rnz s ALA 85 N 12.39 3.69 0.11 5.17 0.00 -1.26 -5.01 121.76 136.84 2rnz s ALA 85 Ca 0.85 1.36 0.04 0.00 0.00 0.00 0.00 51.96 54.21 2rnz s ALA 85 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 2rnz s ALA 85 CO 0.12 -0.77 0.06 0.99 0.00 0.00 0.00 175.76 176.15 2rnz s THR 86 N 0.42 4.29 0.13 0.00 2.01 -1.26 -5.13 115.64 116.10 2rnz s THR 86 Ca 0.64 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.76 2rnz s THR 86 Cb -0.43 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2rnz s THR 86 CO 0.39 0.05 -0.22 -0.62 -0.69 0.00 0.00 174.62 173.53 2rnz s ASP 87 N -2.57 2.83 0.25 3.53 2.15 -1.26 -4.88 116.67 116.72 2rnz s ASP 87 Ca 0.28 -0.74 -0.30 0.00 0.43 0.00 0.00 52.55 52.22 2rnz s ASP 87 Cb -0.11 -0.17 -0.10 0.00 -0.30 0.00 0.00 42.92 42.23 2rnz s ASP 87 CO 0.21 0.08 1.50 -0.70 -0.17 0.00 0.00 175.17 176.09 2rnz s GLU 88 N -2.15 4.22 0.00 4.34 2.12 -1.26 -5.24 118.70 120.74 2rnz s GLU 88 Ca 0.11 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.83 2rnz s GLU 88 Cb -0.09 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2rnz s GLU 88 CO 0.06 -0.51 0.08 -3.47 -0.54 0.00 0.00 175.26 170.87