#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 3.45 3.63 -5.12 0.00 -1.26 -5.19 105.19 100.70 2rnz n GLY -3 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 2rnz n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnz s SER -2 N 1.00 -0.20 -0.78 1.61 0.15 -1.26 -5.11 113.70 109.12 2rnz s SER -2 Ca 0.00 -0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 2rnz s SER -2 Cb 0.00 0.33 0.21 0.00 -1.71 0.00 0.00 66.02 64.85 2rnz s SER -2 CO 0.00 -0.58 0.69 -0.94 1.20 0.00 0.00 173.24 173.60 2rnz s SER -1 N -2.70 6.31 -0.90 5.45 1.04 -1.26 -4.96 113.70 116.68 2rnz s SER -1 Ca 0.10 -2.82 -0.01 0.00 0.48 0.00 0.00 55.95 53.71 2rnz s SER -1 Cb 0.00 -2.10 0.26 0.00 0.10 0.00 0.00 66.02 64.29 2rnz s SER -1 CO -0.03 -0.49 1.04 1.57 0.98 0.00 0.00 173.24 176.31 2rnz n HIS 0 N 3.71 3.42 -3.30 5.02 -0.00 -1.26 -4.79 115.22 118.03 2rnz n HIS 0 Ca 0.13 -3.58 -0.17 0.00 -0.00 0.00 0.00 57.72 54.10 2rnz n HIS 0 Cb 0.44 -1.04 0.06 0.00 -0.00 0.00 0.00 29.99 29.45 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 1.55 -2.42 -4.63 1.57 -0.00 -1.26 -5.02 115.22 105.00 2rnz n HIS 1 Ca 0.26 0.82 -0.25 0.00 -0.00 0.00 0.00 57.72 58.55 2rnz n HIS 1 Cb 0.37 -4.04 -0.17 0.00 -0.00 0.00 0.00 29.99 26.16 2rnz n HIS 1 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rnz s HIS 2 N -3.38 1.53 -0.03 4.41 0.09 -1.26 -5.03 115.29 111.62 2rnz s HIS 2 Ca 0.44 -0.56 -0.05 0.00 -0.00 0.00 0.00 55.06 54.90 2rnz s HIS 2 Cb -0.07 -1.10 -0.03 0.00 -0.00 0.00 0.00 32.58 31.38 2rnz s HIS 2 CO 0.76 -0.27 -0.11 0.72 -0.00 0.00 0.00 174.74 175.83 2rnz n HIS 3 N 3.74 0.00 -2.41 1.40 -0.00 -1.26 -5.01 115.22 111.69 2rnz n HIS 3 Ca -0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.34 2rnz n HIS 3 Cb 0.52 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.28 2rnz n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rnz n HIS 4 N -3.62 -1.22 0.09 4.41 8.25 -1.26 -4.82 115.22 117.05 2rnz n HIS 4 Ca -0.10 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.54 2rnz n HIS 4 Cb 0.35 -3.29 0.70 0.00 1.12 0.00 0.00 29.99 28.87 2rnz n HIS 4 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2rnz h HIS 5 N 0.00 0.00 -2.03 4.41 -0.00 -2.05 -3.36 115.15 112.12 2rnz h HIS 5 Ca -0.38 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.42 2rnz h HIS 5 Cb 1.28 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 28.60 2rnz h HIS 5 CO 0.64 0.00 1.13 0.45 -0.00 0.00 0.00 177.93 180.15 2rnz s SER 6 N -6.32 6.27 0.06 3.10 0.15 -1.26 -4.97 113.70 110.73 2rnz s SER 6 Ca -0.05 -0.83 0.02 0.00 0.70 0.00 0.00 55.95 55.78 2rnz s SER 6 Cb 0.18 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2rnz s SER 6 CO 0.69 -1.69 -0.06 -0.44 1.20 0.00 0.00 173.24 172.94 2rnz s SER 7 N 4.08 0.87 0.00 5.45 0.01 -1.26 -5.12 113.70 117.73 2rnz s SER 7 Ca 0.37 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2rnz s SER 7 Cb -0.06 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2rnz s SER 7 CO 0.07 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2rnz n GLY 8 N 0.81 0.16 0.10 3.44 0.00 -1.26 -4.99 105.19 103.44 2rnz n GLY 8 Ca -0.18 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 1.94 -4.40 0.99 4.32 -1.26 -4.98 117.00 113.61 2rnz n LEU 9 Ca 0.00 0.33 -0.33 0.00 -0.02 0.00 0.00 56.01 55.99 2rnz n LEU 9 Cb 0.00 -0.75 -0.14 0.00 -1.62 0.00 0.00 43.42 40.91 2rnz n LEU 9 CO 0.00 -0.14 -0.45 0.54 -1.22 0.00 0.00 177.39 176.12 2rnz s VAL 10 N -2.85 3.02 0.32 4.08 0.11 -1.26 -4.71 120.40 119.11 2rnz s VAL 10 Ca -0.31 -0.70 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 2rnz s VAL 10 Cb 0.06 -2.23 -0.10 0.00 -1.53 0.00 0.00 36.38 32.57 2rnz s VAL 10 CO 0.44 0.55 1.22 -2.16 -3.33 0.00 0.00 175.10 171.82 2rnz s PRO 11 N -0.00 4.43 0.46 1.54 0.04 -1.26 -5.05 135.00 135.15 2rnz s PRO 11 Ca -0.04 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2rnz s PRO 11 Cb -0.14 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2rnz s PRO 11 CO 0.04 -0.06 0.10 1.03 0.04 0.00 0.00 177.00 178.15 2rnz s ARG 12 N -1.71 2.13 -0.93 4.56 0.52 -1.26 -4.86 118.95 117.40 2rnz s ARG 12 Ca 0.48 -2.12 -0.05 0.00 -0.52 0.00 0.00 55.73 53.52 2rnz s ARG 12 Cb -0.36 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 2rnz s ARG 12 CO 0.48 -0.22 0.81 0.41 0.02 0.00 0.00 175.30 176.79 2rnz n GLY 13 N -1.22 -1.19 3.70 -3.53 0.00 -1.26 -5.01 105.19 96.69 2rnz n GLY 13 Ca -0.08 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rnz s SER 14 N -3.23 5.23 -0.15 1.61 1.04 -1.26 -5.04 113.70 111.90 2rnz s SER 14 Ca 0.26 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 2rnz s SER 14 Cb -0.05 -1.41 -0.10 0.00 0.10 0.00 0.00 66.02 64.57 2rnz s SER 14 CO 0.76 0.29 0.07 0.45 0.98 0.00 0.00 173.24 175.79 2rnz h HIS 15 N 4.41 0.00 -0.60 5.02 3.86 -1.94 -3.49 115.15 122.42 2rnz h HIS 15 Ca -0.49 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.15 2rnz h HIS 15 Cb 1.18 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.61 2rnz h HIS 15 CO 0.62 0.55 -0.28 -1.64 0.86 0.00 0.00 177.93 178.04 2rnz s MET 16 N -2.16 2.26 0.07 2.45 -1.94 -1.25 -5.04 119.30 113.69 2rnz s MET 16 Ca -0.17 -1.98 0.02 0.00 -1.71 0.00 0.00 55.69 51.85 2rnz s MET 16 Cb 0.02 -2.16 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 2rnz s MET 16 CO 0.34 -0.64 0.06 0.43 -0.01 0.00 0.00 175.02 175.20 2rnz n SER 17 N -1.81 -0.15 0.08 3.03 7.64 -1.26 -5.02 113.62 116.14 2rnz n SER 17 Ca 0.00 -1.45 0.09 0.00 1.01 0.00 0.00 58.87 58.52 2rnz n SER 17 Cb 0.64 0.35 0.40 0.00 -1.01 0.00 0.00 64.21 64.59 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 -0.13 1.02 0.25 0.44 3.14 -1.26 -2.54 118.33 119.25 2rnz n VAL 18 Ca 0.02 0.33 0.17 0.00 -2.96 0.00 0.00 64.34 61.89 2rnz n VAL 18 Cb 0.12 -1.22 0.88 0.00 -1.06 0.00 0.00 33.84 32.56 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 -0.64 6.55 3.58 -2.04 0.25 116.42 124.12 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 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2rnz h ASP 19 CO 0.00 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.46 2rnz n ASP 20 N -3.77 4.91 -4.38 2.28 5.75 -1.05 -4.92 116.55 115.37 2rnz n ASP 20 Ca -0.00 -2.52 -0.31 0.00 -0.01 0.00 0.00 54.79 51.95 2rnz n ASP 20 Cb 0.22 -0.60 -0.14 0.00 -1.03 0.00 0.00 41.12 39.57 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2rnz s ILE 21 N -2.00 2.40 0.14 2.12 1.01 0.88 -5.09 121.20 120.67 2rnz s ILE 21 Ca 0.52 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2rnz s ILE 21 Cb 0.34 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2rnz s ILE 21 CO 0.23 0.45 0.09 2.30 0.00 0.00 0.00 174.94 178.01 2rnz n ILE 22 N 1.97 0.00 -3.00 2.92 -5.35 -1.26 -5.00 119.36 109.63 2rnz n ILE 22 Ca -0.16 -0.92 -0.40 0.00 -0.27 0.00 0.00 62.75 61.00 2rnz n ILE 22 Cb 0.52 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.77 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 -2.36 4.57 -1.34 7.28 -1.09 -1.26 -3.79 121.20 123.21 2rnz s ILE 23 Ca 0.12 1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 60.15 2rnz s ILE 23 Cb 0.01 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2rnz s ILE 23 CO 0.09 0.45 0.36 0.29 -1.23 0.00 0.00 174.94 174.89 2rnz n LYS 24 N 2.20 -3.28 -3.29 2.79 5.02 0.95 -5.00 118.16 117.54 2rnz n LYS 24 Ca -0.04 0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 56.76 2rnz n LYS 24 Cb 0.50 -5.28 -0.02 0.00 -0.02 0.00 0.00 35.03 30.20 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 -4.07 4.10 -0.13 0.00 -2.07 -1.26 -0.35 119.66 115.88 2rnz s GLN 26 Ca 0.42 0.42 0.01 0.00 -1.82 0.00 0.00 55.36 54.38 2rnz s GLN 26 Cb -0.10 -3.64 0.02 0.00 -1.09 0.00 0.00 33.01 28.20 2rnz s GLN 26 CO 0.35 -0.35 -0.13 0.00 -1.32 0.00 0.00 175.29 173.83 2rnz s TRP 28 N 1.32 3.61 -0.38 0.00 0.52 -1.26 -1.30 118.94 121.45 2rnz s TRP 28 Ca 0.00 1.10 -0.14 0.00 0.02 0.00 0.00 56.10 57.08 2rnz s TRP 28 Cb -0.14 -2.61 0.01 0.00 -1.15 0.00 0.00 33.47 29.58 2rnz s TRP 28 CO -0.07 0.26 0.28 0.08 0.02 0.00 0.00 176.95 177.52 2rnz s VAL 29 N 0.21 5.27 -0.67 4.03 1.01 0.89 -4.26 120.40 126.87 2rnz s VAL 29 Ca 0.30 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2rnz s VAL 29 Cb -0.17 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2rnz s VAL 29 CO 0.15 -0.20 1.13 -1.58 0.00 0.00 0.00 175.10 174.60 2rnz s GLN 30 N 1.70 3.22 0.73 2.72 0.74 -1.26 -1.34 119.66 126.16 2rnz s GLN 30 Ca 0.05 -0.38 -0.12 0.00 0.05 0.00 0.00 55.36 54.97 2rnz s GLN 30 Cb -0.18 -4.16 0.03 0.00 1.10 0.00 0.00 33.01 29.80 2rnz s GLN 30 CO 0.10 -1.91 1.11 0.21 -0.55 0.00 0.00 175.29 174.25 2rnz s LYS 31 N 4.90 2.63 0.09 1.67 2.36 -0.60 -4.92 119.74 125.87 2rnz s LYS 31 Ca 0.31 0.44 -0.29 0.00 -2.55 0.00 0.00 55.97 53.88 2rnz s LYS 31 Cb -0.11 -2.00 -0.12 0.00 -1.05 0.00 0.00 37.83 34.55 2rnz s LYS 31 CO 0.15 -1.19 1.46 -0.91 1.55 0.00 0.00 175.35 176.41 2rnz h ASN 32 N -0.77 -1.34 0.00 1.43 4.21 -2.03 -3.28 115.58 113.80 2rnz h ASN 32 Ca -0.45 0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.20 2rnz h ASN 32 Cb 1.27 0.50 -0.00 0.00 -1.12 0.00 0.00 38.32 38.96 2rnz h ASN 32 CO 0.63 -0.47 -0.11 0.47 -1.29 0.00 0.00 177.43 176.67 2rnz n ASP 33 N -4.98 1.89 -3.48 5.81 8.00 -1.26 -5.06 116.55 117.48 2rnz n ASP 33 Ca -0.07 -2.90 -0.18 0.00 0.71 0.00 0.00 54.79 52.35 2rnz n ASP 33 Cb 0.35 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.34 1.67 -0.02 -1.24 2.02 -1.24 -5.17 118.70 112.39 2rnz s GLU 34 Ca 0.26 -1.95 -0.00 0.00 0.02 0.00 0.00 54.97 53.29 2rnz s GLU 34 Cb 0.23 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.81 2rnz s GLU 34 CO 0.02 -0.61 0.04 -1.21 0.02 0.00 0.00 175.26 173.52 2rnz s GLU 35 N -3.55 -0.05 0.22 1.61 2.02 -1.26 -1.56 118.70 116.13 2rnz s GLU 35 Ca 0.40 0.23 0.05 0.00 0.02 0.00 0.00 54.97 55.68 2rnz s GLU 35 Cb 0.03 -0.30 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 2rnz s GLU 35 CO 0.25 -0.20 -0.07 0.50 0.02 0.00 0.00 175.26 175.77 2rnz s ARG 36 N 1.28 1.34 -0.03 1.61 6.06 -0.45 -4.96 118.95 123.81 2rnz s ARG 36 Ca -0.06 -1.65 -0.01 0.00 -2.50 0.00 0.00 55.73 51.51 2rnz s ARG 36 Cb -0.13 -0.87 0.03 0.00 0.06 0.00 0.00 34.95 34.04 2rnz s ARG 36 CO -0.03 0.03 0.04 -1.17 -2.50 0.00 0.00 175.30 171.67 2rnz s LEU 37 N -3.32 0.84 0.05 -0.88 2.96 -1.26 -0.08 118.68 116.98 2rnz s LEU 37 Ca 0.25 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2rnz s LEU 37 Cb 0.03 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 2rnz s LEU 37 CO 0.08 -0.16 -0.03 0.00 -1.32 0.00 0.00 176.35 174.92 2rnz s ALA 38 N 1.35 0.44 0.32 5.97 0.00 -0.42 -4.75 121.76 124.68 2rnz s ALA 38 Ca -0.06 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.86 2rnz s ALA 38 Cb -0.13 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2rnz s ALA 38 CO -0.03 -0.34 0.45 -2.00 0.00 0.00 0.00 175.76 173.84 2rnz s GLU 39 N -3.53 3.15 -0.17 0.00 2.12 -0.47 -0.80 118.70 119.01 2rnz s GLU 39 Ca 0.03 -0.99 -0.10 0.00 0.36 0.00 0.00 54.97 54.28 2rnz s GLU 39 Cb 0.05 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2rnz s GLU 39 CO -0.09 0.11 0.15 0.42 -0.54 0.00 0.00 175.26 175.32 2rnz s ILE 40 N -2.15 5.42 -0.01 -3.70 -1.09 0.53 -1.38 121.20 118.82 2rnz s ILE 40 Ca 0.44 0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 59.09 2rnz s ILE 40 Cb -0.09 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2rnz s ILE 40 CO 0.31 0.49 -0.02 0.18 -1.23 0.00 0.00 174.94 174.67 2rnz n LEU 41 N 3.02 0.17 -4.35 2.97 7.99 -0.07 -0.04 117.00 126.68 2rnz n LEU 41 Ca -0.17 0.03 -0.18 0.00 -0.01 0.00 0.00 56.01 55.68 2rnz n LEU 41 Cb 0.53 -0.40 -0.10 0.00 -0.11 0.00 0.00 43.42 43.34 2rnz n LEU 41 CO 0.35 -0.49 -0.24 -0.44 -1.51 0.00 0.00 177.39 175.07 2rnz s SER 42 N -4.41 1.54 -0.02 -1.43 0.01 -1.26 -4.41 113.70 103.72 2rnz s SER 42 Ca -0.02 -1.45 0.01 0.00 1.31 0.00 0.00 55.95 55.80 2rnz s SER 42 Cb 0.00 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.46 2rnz s SER 42 CO 0.03 -0.77 -0.03 -0.63 0.41 0.00 0.00 173.24 172.25 2rnz s ILE 43 N -3.62 0.30 -0.15 1.44 1.01 -1.26 -1.49 121.20 117.44 2rnz s ILE 43 Ca 0.36 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 2rnz s ILE 43 Cb 0.07 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2rnz s ILE 43 CO 0.15 0.12 0.15 0.21 0.00 0.00 0.00 174.94 175.57 2rnz s ASN 44 N 0.37 6.33 -0.12 3.58 3.84 -1.11 -4.98 114.94 122.85 2rnz s ASN 44 Ca -0.04 0.39 0.14 0.00 0.21 0.00 0.00 52.86 53.57 2rnz s ASN 44 Cb -0.07 -2.09 0.31 0.00 -0.55 0.00 0.00 41.25 38.85 2rnz s ASN 44 CO -0.01 0.31 1.15 0.35 -2.79 0.00 0.00 177.10 176.12 2rnz n THR 45 N 2.61 1.43 -0.03 -5.21 -2.24 -1.26 -3.13 114.28 106.45 2rnz n THR 45 Ca -0.18 -2.06 -0.15 0.00 -2.27 0.00 0.00 64.05 59.39 2rnz n THR 45 Cb 0.54 0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.49 0.18 -4.57 -0.78 2.43 -1.95 -3.47 114.38 106.70 2rnz h ARG 46 Ca -0.03 -0.17 -0.25 0.00 -0.81 0.00 0.00 59.98 58.72 2rnz h ARG 46 Cb 1.19 0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 30.60 2rnz h ARG 46 CO 0.01 0.86 -0.72 0.15 -1.51 0.00 0.00 179.97 178.77 2rnz s LYS 47 N -3.36 0.65 0.05 0.20 1.02 -1.26 -5.16 119.74 111.88 2rnz s LYS 47 Ca -0.16 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2rnz s LYS 47 Cb 0.01 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 2rnz s LYS 47 CO 0.74 0.01 0.17 0.00 -0.92 0.00 0.00 175.35 175.35 2rnz s ALA 48 N -2.37 3.88 0.92 5.17 0.00 -1.26 -3.90 121.76 124.20 2rnz s ALA 48 Ca -0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2rnz s ALA 48 Cb -0.03 -1.74 0.14 0.00 0.00 0.00 0.00 23.12 21.49 2rnz s ALA 48 CO -0.02 0.79 1.09 -1.25 0.00 0.00 0.00 175.76 176.37 2rnz s PRO 49 N -2.36 1.07 0.54 0.00 0.04 -1.26 -4.92 135.00 128.10 2rnz s PRO 49 Ca 0.32 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 2rnz s PRO 49 Cb -0.13 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2rnz s PRO 49 CO 0.25 -2.35 1.13 -1.25 0.04 0.00 0.00 177.00 174.81 2rnz s PRO 50 N -4.94 3.40 0.35 0.56 0.04 -1.25 -4.99 135.00 128.16 2rnz s PRO 50 Ca 0.64 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.38 2rnz s PRO 50 Cb -0.18 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2rnz s PRO 50 CO 0.57 -0.82 0.23 0.15 0.04 0.00 0.00 177.00 177.18 2rnz s LYS 51 N -3.23 2.54 -0.12 4.56 -0.14 -1.18 -3.91 119.74 118.26 2rnz s LYS 51 Ca 0.72 -1.45 -0.05 0.00 -1.36 0.00 0.00 55.97 53.83 2rnz s LYS 51 Cb -0.24 -2.32 0.05 0.00 -1.68 0.00 0.00 37.83 33.64 2rnz s LYS 51 CO 0.27 0.06 0.26 -0.06 -0.76 0.00 0.00 175.35 175.13 2rnz s PHE 52 N -2.39 -0.38 -0.52 3.18 0.40 -0.04 -2.75 117.98 115.48 2rnz s PHE 52 Ca 0.40 0.88 -0.28 0.00 -0.60 0.00 0.00 56.93 57.33 2rnz s PHE 52 Cb -0.04 0.03 0.03 0.00 0.51 0.00 0.00 43.02 43.56 2rnz s PHE 52 CO 0.25 -0.28 1.11 -0.47 0.70 0.00 0.00 175.22 176.53 2rnz s TYR 53 N 1.63 2.75 -0.06 0.36 5.04 -0.55 -1.45 117.35 125.07 2rnz s TYR 53 Ca -0.06 0.47 -0.14 0.00 -2.44 0.00 0.00 57.07 54.90 2rnz s TYR 53 Cb -0.11 -4.37 -0.05 0.00 0.35 0.00 0.00 41.96 37.79 2rnz s TYR 53 CO -0.09 -1.38 0.37 0.14 -1.34 0.00 0.00 175.55 173.25 2rnz s VAL 54 N 4.49 5.15 -0.02 3.14 -7.23 0.88 -0.90 120.40 125.92 2rnz s VAL 54 Ca 0.43 0.74 0.06 0.00 -1.81 0.00 0.00 61.98 61.40 2rnz s VAL 54 Cb -0.08 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2rnz s VAL 54 CO 0.27 0.51 -0.20 -2.28 -0.31 0.00 0.00 175.10 173.10 2rnz s HIS 55 N -0.55 1.82 -0.19 2.82 2.46 -0.48 -0.84 115.29 120.34 2rnz s HIS 55 Ca 0.22 -0.37 -0.10 0.00 0.47 0.00 0.00 55.06 55.28 2rnz s HIS 55 Cb -0.15 -1.18 -0.05 0.00 -0.13 0.00 0.00 32.58 31.07 2rnz s HIS 55 CO 0.10 -0.05 0.13 0.71 -2.47 0.00 0.00 174.74 173.16 2rnz s TYR 56 N -0.40 3.44 -0.73 3.88 1.51 -1.26 -1.37 117.35 122.42 2rnz s TYR 56 Ca 0.06 0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.42 2rnz s TYR 56 Cb -0.08 -2.13 -0.07 0.00 -0.11 0.00 0.00 41.96 39.57 2rnz s TYR 56 CO -0.00 0.36 3.03 1.33 -1.11 0.00 0.00 175.55 179.15 2rnz n VAL 57 N 3.28 3.80 -4.10 0.71 0.24 -1.26 -4.81 118.33 116.19 2rnz n VAL 57 Ca -0.17 -2.66 -0.28 0.00 -2.04 0.00 0.00 64.34 59.20 2rnz n VAL 57 Cb 0.52 -2.05 -0.03 0.00 -1.47 0.00 0.00 33.84 30.82 2rnz n VAL 57 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2rnz s ASN 58 N 1.30 4.51 0.58 -1.34 3.04 -1.26 -5.00 114.94 116.77 2rnz s ASN 58 Ca 0.63 -1.32 0.28 0.00 0.04 0.00 0.00 52.86 52.49 2rnz s ASN 58 Cb 0.28 0.35 1.73 0.00 -1.54 0.00 0.00 41.25 42.07 2rnz s ASN 58 CO -0.09 -0.99 2.22 0.22 -3.04 0.00 0.00 177.10 175.42 2rnz h TYR 59 N 0.95 0.00 -3.47 0.43 5.03 -2.07 -3.39 116.97 114.43 2rnz h TYR 59 Ca -0.39 0.00 -0.61 0.00 2.58 0.00 0.00 58.73 60.31 2rnz h TYR 59 Cb 1.30 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 39.45 2rnz h TYR 59 CO 1.07 0.00 -0.41 -0.80 -1.32 0.00 0.00 178.16 176.70 2rnz s ASN 60 N -6.23 6.24 0.16 -2.11 0.01 -1.26 -4.96 114.94 106.79 2rnz s ASN 60 Ca -0.05 0.27 0.17 0.00 -0.71 0.00 0.00 52.86 52.55 2rnz s ASN 60 Cb 0.15 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 2rnz s ASN 60 CO 0.56 0.05 1.07 0.11 -1.51 0.00 0.00 177.10 177.39 2rnz h LYS 61 N 7.25 0.00 -0.06 -0.60 1.57 -1.89 -3.31 116.57 119.53 2rnz h LYS 61 Ca -0.38 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2rnz h LYS 61 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2rnz h LYS 61 CO 0.70 0.30 0.12 0.07 -0.57 0.00 0.00 179.45 180.07 2rnz h ARG 62 N 0.00 0.00 -0.47 3.15 0.11 -1.95 -1.25 114.38 113.96 2rnz h ARG 62 Ca -0.09 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.13 2rnz h ARG 62 Cb 1.43 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.49 2rnz h ARG 62 CO 0.04 0.00 0.40 -0.07 0.10 0.00 0.00 179.97 180.45 2rnz h LEU 63 N 0.00 0.00 -8.89 0.08 3.38 -1.92 -3.40 115.31 104.56 2rnz h LEU 63 Ca 0.03 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.38 2rnz h LEU 63 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2rnz h LEU 63 CO -0.00 0.00 1.42 -0.67 0.09 0.00 0.00 178.44 179.28 2rnz n ASP 64 N -4.04 2.97 -4.22 -0.43 -0.08 -0.48 -4.60 116.55 105.68 2rnz n ASP 64 Ca 0.09 0.39 -0.13 0.00 -1.51 0.00 0.00 54.79 53.63 2rnz n ASP 64 Cb 0.61 -1.44 -0.10 0.00 2.34 0.00 0.00 41.12 42.52 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2rnz s GLU 65 N 5.98 1.16 -0.12 -0.67 -1.05 -0.02 -4.99 118.70 118.99 2rnz s GLU 65 Ca 1.02 -1.60 -0.04 0.00 -0.15 0.00 0.00 54.97 54.21 2rnz s GLU 65 Cb -0.54 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.19 2rnz s GLU 65 CO 0.42 -0.30 0.02 1.67 0.95 0.00 0.00 175.26 178.01 2rnz s TRP 66 N -3.98 3.18 0.32 4.83 1.48 -1.26 -0.09 118.94 123.43 2rnz s TRP 66 Ca 0.33 0.08 0.03 0.00 -1.06 0.00 0.00 56.10 55.49 2rnz s TRP 66 Cb 0.07 -1.90 -0.04 0.00 -1.16 0.00 0.00 33.47 30.44 2rnz s TRP 66 CO 0.09 0.31 0.14 0.96 -4.06 0.00 0.00 176.95 174.38 2rnz s ILE 67 N -0.34 0.48 0.13 0.66 -4.36 -0.52 -4.93 121.20 112.31 2rnz s ILE 67 Ca 0.07 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2rnz s ILE 67 Cb -0.12 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.09 2rnz s ILE 67 CO 0.02 0.00 0.18 0.35 0.24 0.00 0.00 174.94 175.73 2rnz n THR 68 N -0.65 0.00 0.18 8.37 -2.24 -1.26 -0.86 114.28 117.81 2rnz n THR 68 Ca -0.01 -0.42 0.04 0.00 -2.27 0.00 0.00 64.05 61.39 2rnz n THR 68 Cb 0.65 -0.90 0.32 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.02 1.08 -0.23 4.28 1.03 -1.91 -3.15 112.91 114.03 2rnz h THR 69 Ca -0.06 -1.56 0.01 0.00 -0.01 0.00 0.00 66.41 64.79 2rnz h THR 69 Cb 0.27 1.90 -0.02 0.00 -1.07 0.00 0.00 68.15 69.23 2rnz h THR 69 CO 0.09 0.41 0.11 -0.78 -0.01 0.00 0.00 175.52 175.34 2rnz h ASP 70 N 0.00 0.16 0.45 0.00 3.58 -1.95 -1.04 116.42 117.62 2rnz h ASP 70 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2rnz h ASP 70 Cb 0.87 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2rnz h ASP 70 CO 0.05 0.12 0.00 0.03 -2.88 0.00 0.00 179.24 176.57 2rnz h ARG 71 N 0.23 0.00 -4.79 0.28 2.47 -1.94 -3.40 114.38 107.23 2rnz h ARG 71 Ca 0.09 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.15 2rnz h ARG 71 Cb 0.03 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.17 2rnz h ARG 71 CO -0.07 0.00 -0.49 0.42 0.56 0.00 0.00 179.97 180.40 2rnz s ILE 72 N -3.70 5.29 -1.19 2.04 1.01 -0.40 -4.56 121.20 119.69 2rnz s ILE 72 Ca -0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 2rnz s ILE 72 Cb 0.10 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2rnz s ILE 72 CO 0.40 0.08 1.92 -3.20 0.00 0.00 0.00 174.94 174.13 2rnz n ASN 73 N 5.10 3.71 -3.63 3.58 5.15 -1.26 -4.83 115.26 123.07 2rnz n ASN 73 Ca -0.13 -2.79 -0.41 0.00 -0.60 0.00 0.00 54.58 50.65 2rnz n ASN 73 Cb 0.50 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.13 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 9.86 7.45 -0.95 1.20 7.94 -1.26 -4.53 117.00 136.71 2rnz n LEU 74 Ca 0.48 -4.54 0.01 0.00 -1.11 0.00 0.00 56.01 50.85 2rnz n LEU 74 Cb 0.44 -1.51 0.21 0.00 0.53 0.00 0.00 43.42 43.09 2rnz n LEU 74 CO 0.81 1.62 0.66 -0.67 -1.11 0.00 0.00 177.39 178.70 2rnz n ASP 75 N 3.79 2.76 -4.82 1.96 2.03 -1.26 -3.96 116.55 117.05 2rnz n ASP 75 Ca 0.55 -3.53 -0.30 0.00 0.52 0.00 0.00 54.79 52.04 2rnz n ASP 75 Cb 0.32 -0.59 0.09 0.00 -0.72 0.00 0.00 41.12 40.22 2rnz n ASP 75 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2rnz s LYS 76 N -3.11 1.98 0.01 -0.67 -0.14 -1.26 -5.01 119.74 111.53 2rnz s LYS 76 Ca 0.42 0.51 0.02 0.00 -1.36 0.00 0.00 55.97 55.57 2rnz s LYS 76 Cb 0.38 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.57 2rnz s LYS 76 CO 0.02 -1.67 -0.03 -1.83 -0.76 0.00 0.00 175.35 171.08 2rnz s GLU 77 N -5.23 2.67 0.02 1.68 1.03 -1.26 -4.58 118.70 113.03 2rnz s GLU 77 Ca 0.61 -0.67 -0.21 0.00 0.03 0.00 0.00 54.97 54.73 2rnz s GLU 77 Cb -0.14 -2.59 -0.06 0.00 -0.80 0.00 0.00 34.13 30.55 2rnz s GLU 77 CO 0.53 0.61 0.61 0.54 -1.33 0.00 0.00 175.26 176.22 2rnz s VAL 78 N -1.06 4.85 -0.42 1.83 0.11 -1.26 -5.04 120.40 119.40 2rnz s VAL 78 Ca 0.19 1.28 -0.18 0.00 -2.93 0.00 0.00 61.98 60.33 2rnz s VAL 78 Cb -0.11 -3.94 0.02 0.00 -1.53 0.00 0.00 36.38 30.81 2rnz s VAL 78 CO 0.09 0.44 0.49 -0.76 -3.33 0.00 0.00 175.10 172.04 2rnz s LEU 79 N -0.38 4.76 -0.63 2.54 1.43 -1.26 -5.01 118.68 120.14 2rnz s LEU 79 Ca 0.31 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2rnz s LEU 79 Cb -0.19 -2.48 0.15 0.00 0.03 0.00 0.00 46.19 43.71 2rnz s LEU 79 CO 0.18 -0.63 0.40 -0.31 0.23 0.00 0.00 176.35 176.22 2rnz s TYR 80 N 2.32 3.40 0.12 0.29 2.02 -1.26 -5.08 117.35 119.16 2rnz s TYR 80 Ca 0.15 -3.17 -0.31 0.00 -0.37 0.00 0.00 57.07 53.37 2rnz s TYR 80 Cb -0.16 -2.86 -0.08 0.00 -0.40 0.00 0.00 41.96 38.46 2rnz s TYR 80 CO 0.15 -0.68 1.35 -1.25 -1.57 0.00 0.00 175.55 173.55 2rnz s PRO 81 N -0.76 4.35 0.44 -1.71 0.04 -1.26 -4.97 135.00 131.12 2rnz s PRO 81 Ca 0.21 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 2rnz s PRO 81 Cb -0.16 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 2rnz s PRO 81 CO -0.07 -0.38 1.33 1.17 0.04 0.00 0.00 177.00 179.09 2rnz n LYS 82 N 3.71 2.03 -3.59 4.56 4.81 -1.26 -5.01 118.16 123.42 2rnz n LYS 82 Ca 0.10 0.73 -0.11 0.00 -0.87 0.00 0.00 58.31 58.16 2rnz n LYS 82 Cb 0.43 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 2rnz n LYS 82 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2rnz s LEU 83 N -2.12 -0.21 0.03 3.14 0.20 -1.26 -5.18 118.68 113.28 2rnz s LEU 83 Ca 0.61 -0.25 -0.14 0.00 0.69 0.00 0.00 54.13 55.04 2rnz s LEU 83 Cb -0.48 2.38 0.02 0.00 -0.43 0.00 0.00 46.19 47.68 2rnz s LEU 83 CO 0.57 -1.02 0.31 -1.59 -0.29 0.00 0.00 176.35 174.34 2rnz s LYS 84 N -3.81 0.80 0.03 1.98 -2.85 -1.26 -5.14 119.74 109.48 2rnz s LYS 84 Ca 0.05 -0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 2rnz s LYS 84 Cb -0.01 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 2rnz s LYS 84 CO -0.08 -0.25 0.97 0.00 0.10 0.00 0.00 175.35 176.09 2rnz s ALA 85 N -2.35 3.18 0.28 0.59 0.00 -1.26 -5.05 121.76 117.15 2rnz s ALA 85 Ca -0.06 0.54 0.11 0.00 0.00 0.00 0.00 51.96 52.55 2rnz s ALA 85 Cb -0.02 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2rnz s ALA 85 CO -0.02 -0.18 -0.16 0.95 0.00 0.00 0.00 175.76 176.35 2rnz s THR 86 N 0.76 2.66 -0.19 0.00 -4.23 -1.26 -5.14 115.64 108.23 2rnz s THR 86 Ca 0.51 -2.31 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 2rnz s THR 86 Cb -0.22 -2.41 0.09 0.00 1.34 0.00 0.00 72.50 71.30 2rnz s THR 86 CO 0.28 -0.39 0.40 -0.62 -0.54 0.00 0.00 174.62 173.75 2rnz s ASP 87 N -3.54 -0.15 0.08 3.99 2.15 -1.26 -5.16 116.67 112.78 2rnz s ASP 87 Ca 0.30 0.92 0.06 0.00 0.43 0.00 0.00 52.55 54.26 2rnz s ASP 87 Cb -0.05 1.25 -0.04 0.00 -0.30 0.00 0.00 42.92 43.78 2rnz s ASP 87 CO 0.16 -0.23 -0.06 -0.70 -0.17 0.00 0.00 175.17 174.17 2rnz s GLU 88 N 2.58 2.35 0.00 4.34 2.12 -1.26 -5.36 118.70 123.47 2rnz s GLU 88 Ca -0.01 -0.91 0.13 0.00 0.36 0.00 0.00 54.97 54.55 2rnz s GLU 88 Cb -0.12 -2.42 0.11 0.00 0.26 0.00 0.00 34.13 31.95 2rnz s GLU 88 CO -0.12 0.53 0.93 -0.40 -0.54 0.00 0.00 175.26 175.66