#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnz s GLY -3 N 0.00 0.73 0.08 3.03 0.00 -1.26 -5.12 107.32 104.78 2rnz s GLY -3 Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 2rnz s GLY -3 CO 0.00 1.33 0.64 -1.35 0.00 0.00 0.00 173.10 173.73 2rnz s SER -2 N 1.83 -0.58 0.08 1.64 1.04 -1.26 -5.17 113.70 111.27 2rnz s SER -2 Ca -0.00 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.68 2rnz s SER -2 Cb -0.16 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2rnz s SER -2 CO -0.08 -0.84 0.04 -0.44 0.98 0.00 0.00 173.24 172.91 2rnz s SER -1 N -2.25 5.31 -0.88 7.02 0.01 -1.26 -5.03 113.70 116.62 2rnz s SER -1 Ca -0.02 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2rnz s SER -1 Cb -0.01 -1.37 0.34 0.00 0.21 0.00 0.00 66.02 65.20 2rnz s SER -1 CO -0.06 0.18 1.99 1.41 0.41 0.00 0.00 173.24 177.17 2rnz n HIS 0 N 0.57 2.94 -3.24 2.43 8.25 -1.26 -4.97 115.22 119.95 2rnz n HIS 0 Ca -0.10 -2.37 -0.40 0.00 -0.26 0.00 0.00 57.72 54.59 2rnz n HIS 0 Cb 0.52 -1.19 -0.08 0.00 1.12 0.00 0.00 29.99 30.36 2rnz n HIS 0 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2rnz s HIS 1 N -4.13 3.23 -0.30 4.41 4.02 -1.26 -5.02 115.29 116.25 2rnz s HIS 1 Ca 0.49 0.49 -0.12 0.00 1.02 0.00 0.00 55.06 56.93 2rnz s HIS 1 Cb 0.39 -2.79 0.14 0.00 -1.02 0.00 0.00 32.58 29.31 2rnz s HIS 1 CO -0.36 -0.36 0.80 -3.38 1.02 0.00 0.00 174.74 172.45 2rnz s HIS 2 N 2.34 -1.04 0.20 1.40 -3.43 -1.26 -5.02 115.29 108.48 2rnz s HIS 2 Ca 0.20 1.83 0.11 0.00 -0.80 0.00 0.00 55.06 56.40 2rnz s HIS 2 Cb -0.15 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 2rnz s HIS 2 CO 0.11 -0.52 -0.22 -3.38 -2.00 0.00 0.00 174.74 168.73 2rnz s HIS 3 N 2.59 2.21 -0.16 0.38 -3.43 -1.26 -5.15 115.29 110.48 2rnz s HIS 3 Ca -0.05 -0.37 -0.14 0.00 -0.80 0.00 0.00 55.06 53.69 2rnz s HIS 3 Cb -0.09 -1.07 0.04 0.00 -1.43 0.00 0.00 32.58 30.03 2rnz s HIS 3 CO -0.18 0.51 0.41 -1.58 -2.00 0.00 0.00 174.74 171.90 2rnz s HIS 4 N -1.90 -0.45 -0.07 0.38 2.46 -1.26 -5.16 115.29 109.29 2rnz s HIS 4 Ca 0.22 1.11 0.05 0.00 0.47 0.00 0.00 55.06 56.90 2rnz s HIS 4 Cb -0.07 0.16 -0.01 0.00 -0.13 0.00 0.00 32.58 32.52 2rnz s HIS 4 CO 0.10 -0.22 -0.21 -3.38 -2.47 0.00 0.00 174.74 168.56 2rnz s HIS 5 N 0.22 2.55 -0.30 3.88 -3.43 -1.26 -5.09 115.29 111.85 2rnz s HIS 5 Ca -0.00 -0.62 -0.17 0.00 -0.80 0.00 0.00 55.06 53.47 2rnz s HIS 5 Cb -0.03 -1.64 0.18 0.00 -1.43 0.00 0.00 32.58 29.66 2rnz s HIS 5 CO 0.01 -0.15 1.16 0.45 -2.00 0.00 0.00 174.74 174.21 2rnz s SER 6 N -0.17 -0.26 0.73 7.38 0.15 -1.26 -5.18 113.70 115.09 2rnz s SER 6 Ca -0.02 0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.87 2rnz s SER 6 Cb -0.14 1.26 0.12 0.00 -1.71 0.00 0.00 66.02 65.56 2rnz s SER 6 CO 0.04 -0.05 1.01 -0.55 1.20 0.00 0.00 173.24 174.89 2rnz s SER 7 N 2.51 4.33 0.00 5.45 0.15 -1.26 -5.00 113.70 119.88 2rnz s SER 7 Ca -0.02 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2rnz s SER 7 Cb -0.05 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2rnz s SER 7 CO -0.14 -1.87 0.00 0.61 1.20 0.00 0.00 173.24 173.04 2rnz n GLY 8 N -2.90 1.18 0.06 9.45 0.00 -1.26 -5.03 105.19 106.69 2rnz n GLY 8 Ca 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -4.57 0.99 7.99 -1.26 -5.02 117.00 115.13 2rnz n LEU 9 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 2rnz n LEU 9 Cb 0.00 0.28 -0.09 0.00 -0.11 0.00 0.00 43.42 43.50 2rnz n LEU 9 CO 0.00 0.28 -0.40 0.68 -1.51 0.00 0.00 177.39 176.44 2rnz s VAL 10 N -2.35 3.16 0.72 4.08 -7.23 -1.26 -4.85 120.40 112.67 2rnz s VAL 10 Ca -0.06 -1.80 -0.13 0.00 -1.81 0.00 0.00 61.98 58.19 2rnz s VAL 10 Cb 0.04 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2rnz s VAL 10 CO 0.51 -0.20 1.10 -2.16 -0.31 0.00 0.00 175.10 174.04 2rnz s PRO 11 N -3.08 2.50 0.86 4.82 0.04 -1.26 -5.05 135.00 133.82 2rnz s PRO 11 Ca 0.27 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 2rnz s PRO 11 Cb -0.08 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2rnz s PRO 11 CO 0.16 -1.47 1.20 1.03 0.04 0.00 0.00 177.00 177.96 2rnz s ARG 12 N -4.53 1.26 0.00 4.56 0.52 -1.26 -5.08 118.95 114.42 2rnz s ARG 12 Ca 0.64 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 2rnz s ARG 12 Cb -0.19 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.29 2rnz s ARG 12 CO 0.49 -1.94 0.00 0.41 0.02 0.00 0.00 175.30 174.28 2rnz n GLY 13 N -3.41 0.35 0.81 -3.53 0.00 -1.26 -5.04 105.19 93.11 2rnz n GLY 13 Ca 0.13 0.62 0.02 0.00 0.00 0.00 0.00 46.02 46.80 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 2.33 0.00 1.61 2.88 -1.26 -4.78 113.62 114.39 2rnz n SER 14 Ca 0.00 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 2rnz n SER 14 Cb 0.00 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2rnz n HIS 15 N -1.10 0.00 -4.33 0.66 8.25 -1.26 -5.11 115.22 112.33 2rnz n HIS 15 Ca 0.25 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.47 2rnz n HIS 15 Cb 0.85 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.67 2.15 0.06 -0.41 -1.94 -1.26 -4.93 119.30 112.30 2rnz s MET 16 Ca 0.00 -1.47 -0.01 0.00 -1.71 0.00 0.00 55.69 52.50 2rnz s MET 16 Cb 0.00 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 2rnz s MET 16 CO 0.00 0.37 -0.01 0.45 -0.01 0.00 0.00 175.02 175.81 2rnz s SER 17 N -3.56 0.46 0.30 3.03 0.15 -1.26 -4.93 113.70 107.89 2rnz s SER 17 Ca 0.30 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.91 2rnz s SER 17 Cb -0.06 0.22 0.48 0.00 -1.71 0.00 0.00 66.02 64.94 2rnz s SER 17 CO 0.18 -0.62 1.95 0.58 1.20 0.00 0.00 173.24 176.53 2rnz h VAL 18 N 3.10 1.15 -0.00 4.45 2.07 -1.98 -0.35 116.25 124.70 2rnz h VAL 18 Ca -0.34 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2rnz h VAL 18 Cb 1.15 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2rnz h VAL 18 CO 0.65 0.20 0.00 -0.78 0.02 0.00 0.00 177.57 177.66 2rnz h ASP 19 N 1.08 0.00 -0.78 0.57 3.58 -2.04 0.38 116.42 119.21 2rnz h ASP 19 Ca 0.34 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.54 2rnz h ASP 19 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.91 2rnz h ASP 19 CO -0.10 0.00 0.32 0.47 -2.88 0.00 0.00 179.24 177.05 2rnz n ASP 20 N -3.19 4.81 -4.30 2.28 8.00 -0.14 -4.91 116.55 119.09 2rnz n ASP 20 Ca -0.03 -3.26 -0.32 0.00 0.71 0.00 0.00 54.79 51.89 2rnz n ASP 20 Cb 0.07 -0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 40.25 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 -3.03 2.25 0.20 0.53 1.01 0.12 -4.88 121.20 117.41 2rnz s ILE 21 Ca 0.56 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2rnz s ILE 21 Cb 0.45 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2rnz s ILE 21 CO 0.14 0.57 0.19 2.30 0.00 0.00 0.00 174.94 178.14 2rnz n ILE 22 N 2.89 0.00 -3.60 2.92 -5.35 -1.26 -5.04 119.36 109.92 2rnz n ILE 22 Ca -0.17 -0.77 -0.31 0.00 -0.27 0.00 0.00 62.75 61.22 2rnz n ILE 22 Cb 0.52 -0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 37.90 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 -0.79 5.10 -1.38 7.28 -1.09 -1.26 -4.30 121.20 124.76 2rnz s ILE 23 Ca 0.15 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.60 2rnz s ILE 23 Cb -0.01 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2rnz s ILE 23 CO 0.09 -0.01 1.10 0.29 -1.23 0.00 0.00 174.94 175.18 2rnz n LYS 24 N -0.04 -7.13 -3.79 2.79 4.76 0.83 -4.99 118.16 110.59 2rnz n LYS 24 Ca -0.02 0.77 -0.21 0.00 -2.87 0.00 0.00 58.31 55.98 2rnz n LYS 24 Cb 0.52 -5.76 -0.03 0.00 -1.84 0.00 0.00 35.03 27.92 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rnz s GLN 26 N -4.02 4.32 -0.16 0.00 -2.07 -1.26 -1.11 119.66 115.36 2rnz s GLN 26 Ca 0.40 0.45 0.02 0.00 -1.82 0.00 0.00 55.36 54.41 2rnz s GLN 26 Cb -0.08 -3.46 0.02 0.00 -1.09 0.00 0.00 33.01 28.40 2rnz s GLN 26 CO 0.28 0.10 -0.21 0.00 -1.32 0.00 0.00 175.29 174.14 2rnz s TRP 28 N 1.09 3.29 -0.38 0.00 0.52 -1.26 -1.18 118.94 121.01 2rnz s TRP 28 Ca -0.00 1.40 -0.14 0.00 0.02 0.00 0.00 56.10 57.38 2rnz s TRP 28 Cb -0.14 -3.30 0.01 0.00 -1.15 0.00 0.00 33.47 28.88 2rnz s TRP 28 CO -0.08 -0.70 0.28 0.08 0.02 0.00 0.00 176.95 176.54 2rnz s VAL 29 N 2.77 5.26 -0.60 4.03 1.01 0.72 -4.20 120.40 129.39 2rnz s VAL 29 Ca 0.48 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 2rnz s VAL 29 Cb -0.18 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.44 2rnz s VAL 29 CO 0.13 -0.20 0.77 -1.58 0.00 0.00 0.00 175.10 174.22 2rnz s GLN 30 N 1.69 3.07 0.75 2.72 0.74 -1.26 -1.23 119.66 126.14 2rnz s GLN 30 Ca 0.05 -1.14 -0.12 0.00 0.05 0.00 0.00 55.36 54.21 2rnz s GLN 30 Cb -0.18 -4.24 0.04 0.00 1.10 0.00 0.00 33.01 29.73 2rnz s GLN 30 CO 0.10 -1.59 1.10 0.21 -0.55 0.00 0.00 175.29 174.57 2rnz s LYS 31 N 3.07 2.49 0.09 1.67 2.47 -0.76 -4.92 119.74 123.84 2rnz s LYS 31 Ca 0.15 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.75 2rnz s LYS 31 Cb -0.22 -1.98 -0.13 0.00 -1.46 0.00 0.00 37.83 34.05 2rnz s LYS 31 CO 0.08 -1.30 1.48 -0.91 0.16 0.00 0.00 175.35 174.86 2rnz h ASN 32 N -0.85 -1.38 0.00 1.43 4.21 -2.01 -3.28 115.58 113.69 2rnz h ASN 32 Ca -0.46 0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.19 2rnz h ASN 32 Cb 1.27 0.51 -0.01 0.00 -1.12 0.00 0.00 38.32 38.96 2rnz h ASN 32 CO 0.62 -0.50 -0.16 0.47 -1.29 0.00 0.00 177.43 176.57 2rnz n ASP 33 N -5.09 1.81 -3.33 5.81 8.00 -1.26 -5.06 116.55 117.43 2rnz n ASP 33 Ca -0.08 -2.92 -0.19 0.00 0.71 0.00 0.00 54.79 52.31 2rnz n ASP 33 Cb 0.36 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.29 1.77 -0.04 -1.24 0.41 -1.24 -5.16 118.70 110.92 2rnz s GLU 34 Ca 0.26 -2.02 -0.02 0.00 -0.41 0.00 0.00 54.97 52.78 2rnz s GLU 34 Cb 0.24 0.33 0.03 0.00 -1.78 0.00 0.00 34.13 32.95 2rnz s GLU 34 CO 0.01 -0.66 0.05 -1.21 -0.49 0.00 0.00 175.26 172.97 2rnz s GLU 35 N -3.42 -0.07 0.28 1.61 8.01 -1.26 -1.84 118.70 122.01 2rnz s GLU 35 Ca 0.41 0.35 0.03 0.00 0.01 0.00 0.00 54.97 55.76 2rnz s GLU 35 Cb 0.02 -0.46 -0.06 0.00 -4.31 0.00 0.00 34.13 29.32 2rnz s GLU 35 CO 0.28 -0.30 0.06 1.03 0.01 0.00 0.00 175.26 176.34 2rnz s ARG 36 N 1.97 1.49 0.00 1.61 3.00 -0.37 -4.96 118.95 121.69 2rnz s ARG 36 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 55.73 53.95 2rnz s ARG 36 Cb -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 34.95 34.27 2rnz s ARG 36 CO -0.03 -0.22 -0.02 -1.17 0.00 0.00 0.00 175.30 173.86 2rnz s LEU 37 N -3.38 2.06 0.29 2.53 2.96 -1.26 -0.20 118.68 121.67 2rnz s LEU 37 Ca 0.36 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2rnz s LEU 37 Cb 0.08 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 2rnz s LEU 37 CO 0.14 -0.05 0.19 0.00 -1.32 0.00 0.00 176.35 175.30 2rnz s ALA 38 N -0.34 1.76 0.23 5.97 0.00 -0.33 -4.82 121.76 124.23 2rnz s ALA 38 Ca -0.03 -1.83 0.12 0.00 0.00 0.00 0.00 51.96 50.21 2rnz s ALA 38 Cb -0.03 1.31 -0.05 0.00 0.00 0.00 0.00 23.12 24.36 2rnz s ALA 38 CO -0.00 -0.57 -0.21 -2.00 0.00 0.00 0.00 175.76 172.97 2rnz s GLU 39 N -3.78 1.62 -0.27 0.00 2.12 -0.08 -0.19 118.70 118.12 2rnz s GLU 39 Ca 0.38 -1.61 -0.11 0.00 0.36 0.00 0.00 54.97 53.99 2rnz s GLU 39 Cb 0.05 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.55 2rnz s GLU 39 CO 0.19 0.37 0.18 0.42 -0.54 0.00 0.00 175.26 175.89 2rnz s ILE 40 N -2.02 5.33 -0.23 -3.70 -1.09 -0.26 -0.20 121.20 119.03 2rnz s ILE 40 Ca 0.25 0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.95 2rnz s ILE 40 Cb -0.07 -3.52 -0.21 0.00 -1.58 0.00 0.00 42.46 37.08 2rnz s ILE 40 CO 0.12 0.28 -0.08 0.18 -1.23 0.00 0.00 174.94 174.22 2rnz n LEU 41 N 4.78 1.45 -3.79 2.97 4.77 -0.39 -0.12 117.00 126.67 2rnz n LEU 41 Ca -0.14 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 2rnz n LEU 41 Cb 0.52 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2rnz n LEU 41 CO 0.34 0.71 0.73 -0.44 -1.33 0.00 0.00 177.39 177.40 2rnz s SER 42 N -5.99 -0.12 -0.02 -1.43 0.01 -1.26 -4.69 113.70 100.20 2rnz s SER 42 Ca -0.22 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2rnz s SER 42 Cb 0.07 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.85 2rnz s SER 42 CO 0.72 -0.99 0.02 -0.63 0.41 0.00 0.00 173.24 172.77 2rnz s ILE 43 N -2.95 -0.02 -0.24 1.44 1.01 -1.26 -0.33 121.20 118.86 2rnz s ILE 43 Ca 0.15 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 2rnz s ILE 43 Cb -0.02 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 2rnz s ILE 43 CO 0.04 0.09 0.15 0.20 0.00 0.00 0.00 174.94 175.42 2rnz s ASN 44 N 0.95 6.04 -0.49 3.58 0.01 -1.09 -4.98 114.94 118.97 2rnz s ASN 44 Ca -0.08 0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.19 2rnz s ASN 44 Cb -0.12 -2.09 0.48 0.00 0.41 0.00 0.00 41.25 39.93 2rnz s ASN 44 CO -0.03 0.07 1.70 0.35 -1.51 0.00 0.00 177.10 177.69 2rnz n THR 45 N 4.26 3.14 -0.03 1.60 -2.24 -1.26 -1.19 114.28 118.56 2rnz n THR 45 Ca -0.15 -3.24 -0.02 0.00 -2.27 0.00 0.00 64.05 58.38 2rnz n THR 45 Cb 0.52 -1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.90 0.66 -3.81 -0.78 0.63 -1.26 -4.97 116.66 106.23 2rnz n ARG 46 Ca 0.54 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 57.27 2rnz n ARG 46 Cb 0.88 -1.62 -0.05 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 -2.88 2.40 -0.16 -0.14 -0.14 -1.26 -5.06 119.74 112.50 2rnz s LYS 47 Ca -0.07 -1.67 -0.03 0.00 -1.36 0.00 0.00 55.97 52.84 2rnz s LYS 47 Cb 0.09 -2.21 0.05 0.00 -1.68 0.00 0.00 37.83 34.08 2rnz s LYS 47 CO 0.84 -0.16 0.04 0.00 -0.76 0.00 0.00 175.35 175.32 2rnz s ALA 48 N -2.53 0.77 0.96 5.17 0.00 -1.26 -2.23 121.76 122.65 2rnz s ALA 48 Ca 0.45 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2rnz s ALA 48 Cb -0.00 -1.03 0.17 0.00 0.00 0.00 0.00 23.12 22.25 2rnz s ALA 48 CO 0.26 -1.00 1.09 -1.25 0.00 0.00 0.00 175.76 174.86 2rnz s PRO 49 N 1.96 0.73 0.95 0.00 0.04 -1.26 -4.84 135.00 132.59 2rnz s PRO 49 Ca 0.01 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2rnz s PRO 49 Cb -0.16 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.78 2rnz s PRO 49 CO -0.07 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.26 2rnz s PRO 50 N -4.95 0.80 0.53 0.56 0.04 -0.94 -4.99 135.00 126.04 2rnz s PRO 50 Ca 0.65 0.66 0.09 0.00 0.04 0.00 0.00 61.00 62.43 2rnz s PRO 50 Cb -0.18 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2rnz s PRO 50 CO 0.57 -2.52 0.72 0.15 0.04 0.00 0.00 177.00 175.97 2rnz s LYS 51 N -4.95 2.45 -0.09 4.56 3.01 -0.33 -4.49 119.74 119.90 2rnz s LYS 51 Ca 0.64 -1.54 -0.06 0.00 -1.01 0.00 0.00 55.97 54.00 2rnz s LYS 51 Cb -0.18 -2.67 0.03 0.00 -1.01 0.00 0.00 37.83 34.00 2rnz s LYS 51 CO 0.57 -0.68 0.23 -0.06 0.51 0.00 0.00 175.35 175.92 2rnz s PHE 52 N -2.58 -0.28 -0.39 3.18 0.40 0.69 -2.65 117.98 116.35 2rnz s PHE 52 Ca 0.59 0.67 -0.25 0.00 -0.60 0.00 0.00 56.93 57.35 2rnz s PHE 52 Cb -0.07 0.06 0.02 0.00 0.51 0.00 0.00 43.02 43.54 2rnz s PHE 52 CO 0.37 -0.17 0.88 -0.47 0.70 0.00 0.00 175.22 176.53 2rnz s TYR 53 N 0.66 3.05 0.02 0.36 6.14 0.56 -0.92 117.35 127.22 2rnz s TYR 53 Ca -0.04 0.61 -0.11 0.00 0.64 0.00 0.00 57.07 58.16 2rnz s TYR 53 Cb -0.06 -3.65 -0.05 0.00 0.42 0.00 0.00 41.96 38.61 2rnz s TYR 53 CO -0.04 -0.87 0.36 0.14 0.64 0.00 0.00 175.55 175.79 2rnz s VAL 54 N 3.43 5.13 -0.00 3.14 -7.23 0.84 -1.26 120.40 124.45 2rnz s VAL 54 Ca 0.36 0.57 0.04 0.00 -1.81 0.00 0.00 61.98 61.13 2rnz s VAL 54 Cb -0.12 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 2rnz s VAL 54 CO 0.20 0.46 -0.12 -2.28 -0.31 0.00 0.00 175.10 173.04 2rnz s HIS 55 N -1.21 1.08 -0.46 2.82 2.46 0.73 -2.23 115.29 118.46 2rnz s HIS 55 Ca 0.27 -0.23 -0.15 0.00 0.47 0.00 0.00 55.06 55.42 2rnz s HIS 55 Cb -0.15 -0.69 0.07 0.00 -0.13 0.00 0.00 32.58 31.68 2rnz s HIS 55 CO 0.14 -0.01 0.38 0.71 -2.47 0.00 0.00 174.74 173.49 2rnz s TYR 56 N -0.39 3.25 0.46 3.88 1.51 -1.26 -0.91 117.35 123.90 2rnz s TYR 56 Ca 0.04 -0.92 0.19 0.00 -1.01 0.00 0.00 57.07 55.37 2rnz s TYR 56 Cb -0.05 -3.10 1.22 0.00 -0.11 0.00 0.00 41.96 39.92 2rnz s TYR 56 CO -0.00 -0.78 2.05 -0.39 -1.11 0.00 0.00 175.55 175.32 2rnz h VAL 57 N 5.76 0.92 0.00 0.71 -1.51 -1.94 -3.20 116.25 116.99 2rnz h VAL 57 Ca -0.28 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 64.68 2rnz h VAL 57 Cb 1.11 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2rnz h VAL 57 CO 0.86 0.13 -0.30 0.78 -1.23 0.00 0.00 177.57 177.81 2rnz h ASN 58 N 0.00 0.00 -3.21 4.19 4.21 -1.94 -3.48 115.58 115.35 2rnz h ASN 58 Ca -0.00 -0.19 -0.34 0.00 1.21 0.00 0.00 56.30 56.97 2rnz h ASN 58 Cb 0.26 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 37.62 2rnz h ASN 58 CO 0.02 0.76 0.17 -1.22 -1.29 0.00 0.00 177.43 175.86 2rnz n TYR 59 N -4.67 -3.82 -2.29 1.19 4.02 -1.21 -5.07 117.16 105.31 2rnz n TYR 59 Ca -0.07 -0.88 -0.14 0.00 -0.01 0.00 0.00 57.90 56.80 2rnz n TYR 59 Cb 0.22 -0.94 0.08 0.00 -0.02 0.00 0.00 39.34 38.68 2rnz n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2rnz n ASN 60 N -4.37 0.65 0.28 7.72 3.02 -1.26 -4.78 115.26 116.53 2rnz n ASN 60 Ca 0.13 -1.59 0.17 0.00 -0.03 0.00 0.00 54.58 53.26 2rnz n ASN 60 Cb 0.50 -0.41 0.79 0.00 -0.61 0.00 0.00 39.78 40.04 2rnz n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2rnz h LYS 61 N 0.00 0.00 -0.81 3.52 6.56 -1.95 -2.79 116.57 121.11 2rnz h LYS 61 Ca -0.20 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.62 2rnz h LYS 61 Cb 0.71 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.33 2rnz h LYS 61 CO 0.20 0.05 0.58 0.07 -2.06 0.00 0.00 179.45 178.29 2rnz h ARG 62 N 0.00 0.00 0.00 3.15 0.11 -1.99 0.16 114.38 115.82 2rnz h ARG 62 Ca -0.00 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 2rnz h ARG 62 Cb 0.39 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 2rnz h ARG 62 CO 0.01 0.00 -1.70 1.28 0.10 0.00 0.00 179.97 179.66 2rnz n LEU 63 N -4.29 0.58 -4.51 0.08 4.77 -1.05 -4.87 117.00 107.70 2rnz n LEU 63 Ca 0.16 0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.97 2rnz n LEU 63 Cb 0.88 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 42.06 2rnz n LEU 63 CO 0.38 0.21 1.94 -0.67 -1.33 0.00 0.00 177.39 177.92 2rnz n ASP 64 N -2.79 2.16 -2.69 -1.43 2.03 0.58 -4.86 116.55 109.55 2rnz n ASP 64 Ca -0.14 0.05 -0.15 0.00 0.52 0.00 0.00 54.79 55.07 2rnz n ASP 64 Cb 0.88 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 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 8.60 0.35 -5.20 -0.67 0.28 -0.95 -5.01 120.64 118.05 2rnz n GLU 65 Ca 0.41 -2.39 -0.32 0.00 -0.16 0.00 0.00 57.16 54.70 2rnz n GLU 65 Cb 0.35 1.85 -0.17 0.00 1.43 0.00 0.00 31.44 34.90 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 -2.91 2.56 0.37 -1.84 1.48 -1.26 -0.11 118.94 117.22 2rnz s TRP 66 Ca 0.26 -0.96 0.05 0.00 -1.06 0.00 0.00 56.10 54.39 2rnz s TRP 66 Cb 0.01 -1.70 -0.02 0.00 -1.16 0.00 0.00 33.47 30.61 2rnz s TRP 66 CO 0.19 -0.37 0.18 0.44 -4.06 0.00 0.00 176.95 173.33 2rnz n ILE 67 N 3.41 0.00 -3.15 0.66 -5.35 -0.10 -4.94 119.36 109.90 2rnz n ILE 67 Ca -0.19 -2.27 -0.18 0.00 -0.27 0.00 0.00 62.75 59.84 2rnz n ILE 67 Cb 0.53 0.91 0.05 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.79 0.00 0.30 7.28 -2.24 -1.26 -0.22 114.28 117.35 2rnz n THR 68 Ca -0.02 -1.76 0.18 0.00 -2.27 0.00 0.00 64.05 60.18 2rnz n THR 68 Cb 0.58 -0.50 0.82 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.17 0.00 -0.81 4.28 1.03 -1.81 -2.77 112.91 113.00 2rnz h THR 69 Ca -0.25 -0.28 0.23 0.00 -0.01 0.00 0.00 66.41 66.11 2rnz h THR 69 Cb 1.12 1.20 -0.03 0.00 -1.07 0.00 0.00 68.15 69.36 2rnz h THR 69 CO 0.37 0.00 0.58 -0.78 -0.01 0.00 0.00 175.52 175.68 2rnz h ASP 70 N 0.00 0.01 0.00 0.00 3.58 -1.96 -1.20 116.42 116.84 2rnz h ASP 70 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2rnz h ASP 70 Cb 0.29 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2rnz h ASP 70 CO 0.00 0.00 -1.81 0.54 -2.88 0.00 0.00 179.24 175.10 2rnz n ARG 71 N -4.30 1.01 -3.55 0.28 5.12 -1.06 -4.91 116.66 109.25 2rnz n ARG 71 Ca 0.16 -0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.61 2rnz n ARG 71 Cb 0.88 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.71 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 -2.74 5.29 -0.83 0.55 1.01 -0.45 -4.58 121.20 119.45 2rnz s ILE 72 Ca -0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 2rnz s ILE 72 Cb 0.07 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.98 2rnz s ILE 72 CO 0.60 0.09 1.15 0.21 0.00 0.00 0.00 174.94 177.00 2rnz s ASN 73 N 1.74 6.39 -1.31 3.58 2.47 -1.26 -4.57 114.94 121.98 2rnz s ASN 73 Ca 0.07 -1.38 -0.08 0.00 0.42 0.00 0.00 52.86 51.88 2rnz s ASN 73 Cb -0.17 -2.46 0.14 0.00 -1.45 0.00 0.00 41.25 37.32 2rnz s ASN 73 CO 0.11 -1.37 2.07 -0.11 -3.72 0.00 0.00 177.10 174.07 2rnz n LEU 74 N 7.74 7.16 -2.34 3.21 7.94 -1.26 -4.58 117.00 134.87 2rnz n LEU 74 Ca 0.14 -4.71 -0.15 0.00 -1.11 0.00 0.00 56.01 50.17 2rnz n LEU 74 Cb 0.48 -1.44 0.03 0.00 0.53 0.00 0.00 43.42 43.02 2rnz n LEU 74 CO 0.61 1.61 0.11 -0.67 -1.11 0.00 0.00 177.39 177.94 2rnz n ASP 75 N 3.19 3.67 -3.19 1.96 2.03 -1.26 -4.22 116.55 118.74 2rnz n ASP 75 Ca 0.48 -3.12 -0.19 0.00 0.52 0.00 0.00 54.79 52.48 2rnz n ASP 75 Cb 0.32 -0.40 0.16 0.00 -0.72 0.00 0.00 41.12 40.48 2rnz n ASP 75 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2rnz n LYS 76 N -0.65 -2.17 -4.32 -0.67 4.81 -1.26 -4.91 118.16 108.99 2rnz n LYS 76 Ca 0.30 -1.15 -0.23 0.00 -0.87 0.00 0.00 58.31 56.36 2rnz n LYS 76 Cb 0.90 -1.03 -0.12 0.00 0.02 0.00 0.00 35.03 34.80 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2rnz s GLU 77 N -4.64 1.23 0.18 1.64 -1.05 -1.26 -4.43 118.70 110.38 2rnz s GLU 77 Ca 0.46 -1.31 0.09 0.00 -0.15 0.00 0.00 54.97 54.05 2rnz s GLU 77 Cb -0.04 -1.39 -0.04 0.00 -0.44 0.00 0.00 34.13 32.22 2rnz s GLU 77 CO 0.35 0.30 -0.18 0.14 0.95 0.00 0.00 175.26 176.82 2rnz s VAL 78 N -1.65 1.87 -0.79 1.83 -7.23 -1.26 -5.10 120.40 108.07 2rnz s VAL 78 Ca 0.12 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 2rnz s VAL 78 Cb -0.08 -1.93 0.18 0.00 0.56 0.00 0.00 36.38 35.11 2rnz s VAL 78 CO 0.06 -0.38 0.80 -0.76 -0.31 0.00 0.00 175.10 174.51 2rnz s LEU 79 N -2.89 6.19 -0.72 1.32 1.43 -1.26 -4.97 118.68 117.78 2rnz s LEU 79 Ca 0.19 -2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 50.97 2rnz s LEU 79 Cb -0.05 -2.26 0.18 0.00 0.03 0.00 0.00 46.19 44.10 2rnz s LEU 79 CO 0.07 -0.77 0.55 -0.31 0.23 0.00 0.00 176.35 176.12 2rnz s TYR 80 N 1.14 3.57 -1.16 0.29 1.51 -1.26 -5.01 117.35 116.42 2rnz s TYR 80 Ca 0.18 -2.92 -0.23 0.00 -1.01 0.00 0.00 57.07 53.10 2rnz s TYR 80 Cb -0.13 -3.14 -0.09 0.00 -0.11 0.00 0.00 41.96 38.49 2rnz s TYR 80 CO -0.06 -0.77 1.93 -0.35 -1.11 0.00 0.00 175.55 175.20 2rnz n PRO 81 N 2.90 1.59 -3.74 -1.71 -0.04 -1.26 -4.85 135.00 127.89 2rnz n PRO 81 Ca 0.14 -2.43 -0.14 0.00 -0.04 0.00 0.00 63.50 61.03 2rnz n PRO 81 Cb 0.37 -3.69 -0.08 0.00 -0.04 0.00 0.00 33.50 30.06 2rnz n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rnz s LYS 82 N 6.39 0.69 0.68 0.54 1.02 -1.26 -5.17 119.74 122.64 2rnz s LYS 82 Ca 0.68 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.44 2rnz s LYS 82 Cb 0.00 0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.62 2rnz s LYS 82 CO 0.14 -0.19 1.06 -0.51 -0.92 0.00 0.00 175.35 174.92 2rnz s LEU 83 N -1.25 3.09 -0.30 3.17 2.01 -1.26 -5.08 118.68 119.07 2rnz s LEU 83 Ca -0.13 1.48 -0.17 0.00 0.01 0.00 0.00 54.13 55.33 2rnz s LEU 83 Cb -0.05 -4.38 0.18 0.00 0.01 0.00 0.00 46.19 41.96 2rnz s LEU 83 CO 0.05 -1.31 1.14 -0.75 1.01 0.00 0.00 176.35 176.49 2rnz s LYS 84 N -5.13 0.17 0.41 1.70 2.36 -1.26 -5.18 119.74 112.81 2rnz s LYS 84 Ca 0.57 0.36 0.07 0.00 -2.55 0.00 0.00 55.97 54.42 2rnz s LYS 84 Cb -0.13 0.12 -0.06 0.00 -1.05 0.00 0.00 37.83 36.72 2rnz s LYS 84 CO 0.54 -0.05 0.15 0.00 1.55 0.00 0.00 175.35 177.55 2rnz s ALA 85 N 1.64 3.51 -0.30 3.13 0.00 -1.26 -5.14 121.76 123.34 2rnz s ALA 85 Ca -0.05 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.64 2rnz s ALA 85 Cb -0.03 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.92 2rnz s ALA 85 CO -0.14 -0.14 0.96 -0.08 0.00 0.00 0.00 175.76 176.36 2rnz s THR 86 N -2.60 -0.47 -0.56 0.00 -1.32 -1.26 -5.12 115.64 104.32 2rnz s THR 86 Ca 0.40 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.82 2rnz s THR 86 Cb 0.04 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.18 2rnz s THR 86 CO 0.22 0.00 0.39 -1.81 -2.21 0.00 0.00 174.62 171.21 2rnz s ASP 87 N 2.32 5.51 -0.05 8.08 1.01 -1.26 -5.03 116.67 127.25 2rnz s ASP 87 Ca -0.04 -2.42 0.02 0.00 0.71 0.00 0.00 52.55 50.83 2rnz s ASP 87 Cb -0.06 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.96 2rnz s ASP 87 CO -0.17 -0.51 -0.10 -0.70 0.21 0.00 0.00 175.17 173.90 2rnz s GLU 88 N 0.59 1.36 0.00 8.23 2.56 -1.26 -5.29 118.70 124.89 2rnz s GLU 88 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.97 54.77 2rnz s GLU 88 Cb -0.21 -1.18 0.00 0.00 2.00 0.00 0.00 34.13 34.74 2rnz s GLU 88 CO -0.03 0.02 0.25 -0.25 -0.56 0.00 0.00 175.26 174.69