#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnz n ALA 2 N 0.00 0.00 -2.17 3.04 0.00 -1.26 -4.67 120.51 115.45 1bnz n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1bnz n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1bnz n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bnz s THR 3 N 0.00 0.32 -0.09 0.00 -1.32 -1.26 -1.43 115.64 111.85 1bnz s THR 3 Ca 0.00 -1.92 0.02 0.00 -1.21 0.00 0.00 61.69 58.58 1bnz s THR 3 Cb 0.00 -1.98 0.01 0.00 -1.51 0.00 0.00 72.50 69.02 1bnz s THR 3 CO 0.00 -0.56 -0.13 0.54 -2.21 0.00 0.00 174.62 172.26 1bnz s VAL 4 N -3.90 1.31 -0.19 5.08 0.11 0.38 -4.83 120.40 118.36 1bnz s VAL 4 Ca 0.21 -0.55 -0.09 0.00 -2.93 0.00 0.00 61.98 58.63 1bnz s VAL 4 Cb 0.07 -1.21 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1bnz s VAL 4 CO 0.01 0.40 0.10 -0.75 -3.33 0.00 0.00 175.10 171.52 1bnz s LYS 5 N 0.91 4.08 0.30 1.54 2.47 -1.26 -0.62 119.74 127.16 1bnz s LYS 5 Ca -0.09 -0.28 -0.07 0.00 -1.56 0.00 0.00 55.97 53.97 1bnz s LYS 5 Cb -0.15 -3.32 -0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1bnz s LYS 5 CO 0.00 0.29 0.47 -0.59 0.16 0.00 0.00 175.35 175.68 1bnz s PHE 6 N 0.35 0.75 -0.08 4.03 -0.71 0.51 -4.96 117.98 117.87 1bnz s PHE 6 Ca 0.06 -1.05 0.05 0.00 -1.04 0.00 0.00 56.93 54.94 1bnz s PHE 6 Cb -0.12 0.04 -0.00 0.00 -1.21 0.00 0.00 43.02 41.73 1bnz s PHE 6 CO -0.01 -1.07 -0.24 0.21 -1.34 0.00 0.00 175.22 172.77 1bnz s LYS 7 N -3.46 2.73 -0.14 1.99 2.20 -1.26 0.74 119.74 122.54 1bnz s LYS 7 Ca 0.27 -0.86 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1bnz s LYS 7 Cb -0.00 -2.17 0.07 0.00 -1.51 0.00 0.00 37.83 34.22 1bnz s LYS 7 CO 0.15 0.26 0.23 -0.47 -0.36 0.00 0.00 175.35 175.16 1bnz s TYR 8 N 0.14 -0.35 -1.16 4.03 5.04 0.79 -4.77 117.35 121.06 1bnz s TYR 8 Ca -0.12 0.73 -0.18 0.00 -2.44 0.00 0.00 57.07 55.06 1bnz s TYR 8 Cb -0.16 -0.16 -0.01 0.00 0.35 0.00 0.00 41.96 41.99 1bnz s TYR 8 CO 0.06 -0.40 0.77 1.63 -1.34 0.00 0.00 175.55 176.27 1bnz n LYS 9 N 5.34 -1.57 -0.82 4.97 5.02 -1.26 -1.70 118.16 128.13 1bnz n LYS 9 Ca -0.06 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1bnz n LYS 9 Cb 0.50 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 1bnz n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnz n GLY 10 N -1.68 0.58 3.34 0.72 0.00 -1.26 -4.98 105.19 101.92 1bnz n GLY 10 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1bnz n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bnz s GLU 11 N -0.43 2.81 -0.20 1.61 2.02 -0.69 -5.10 118.70 118.72 1bnz s GLU 11 Ca 0.00 -0.79 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 1bnz s GLU 11 Cb 0.00 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1bnz s GLU 11 CO 0.00 0.38 0.59 -2.00 0.02 0.00 0.00 175.26 174.24 1bnz s GLU 12 N -0.12 4.20 0.31 1.61 2.56 -1.26 -0.15 118.70 125.84 1bnz s GLU 12 Ca -0.03 0.53 0.11 0.00 0.00 0.00 0.00 54.97 55.58 1bnz s GLU 12 Cb -0.14 -3.58 -0.06 0.00 2.00 0.00 0.00 34.13 32.36 1bnz s GLU 12 CO 0.04 -0.22 -0.14 0.15 -0.56 0.00 0.00 175.26 174.53 1bnz s LYS 13 N 1.84 1.78 -0.03 4.30 1.02 0.23 -4.98 119.74 123.91 1bnz s LYS 13 Ca 0.27 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.45 1bnz s LYS 13 Cb -0.16 -1.77 0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1bnz s LYS 13 CO 0.10 0.25 -0.01 -2.00 -0.92 0.00 0.00 175.35 172.77 1bnz s GLU 14 N -3.57 0.33 0.00 1.68 2.12 -1.26 -0.36 118.70 117.64 1bnz s GLU 14 Ca 0.31 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1bnz s GLU 14 Cb -0.02 -0.46 -0.00 0.00 0.26 0.00 0.00 34.13 33.90 1bnz s GLU 14 CO 0.16 -0.10 -0.01 0.08 -0.54 0.00 0.00 175.26 174.85 1bnz s VAL 15 N 0.83 0.09 0.18 3.70 1.01 0.21 -4.95 120.40 121.48 1bnz s VAL 15 Ca -0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1bnz s VAL 15 Cb -0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 36.07 1bnz s VAL 15 CO -0.01 -0.03 1.48 -1.81 0.00 0.00 0.00 175.10 174.73 1bnz s ASP 16 N -0.16 6.67 0.50 3.32 1.01 -1.26 -0.47 116.67 126.28 1bnz s ASP 16 Ca -0.01 2.56 0.15 0.00 0.71 0.00 0.00 52.55 55.96 1bnz s ASP 16 Cb -0.01 -2.60 1.20 0.00 1.01 0.00 0.00 42.92 42.52 1bnz s ASP 16 CO -0.00 -0.73 2.12 0.40 0.21 0.00 0.00 175.17 177.17 1bnz h ILE 17 N 3.89 1.02 0.00 0.77 1.08 -1.51 -1.54 117.51 121.23 1bnz h ILE 17 Ca -0.44 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1bnz h ILE 17 Cb 1.21 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1bnz h ILE 17 CO 0.85 0.03 -0.02 0.77 -0.69 0.00 0.00 178.15 179.09 1bnz h SER 18 N 0.05 0.00 0.14 1.72 4.64 -1.91 -2.23 113.55 115.95 1bnz h SER 18 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1bnz h SER 18 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bnz h SER 18 CO 0.00 0.02 -0.18 0.29 -0.87 0.00 0.00 176.83 176.08 1bnz n LYS 19 N -3.19 1.16 -2.58 4.77 5.02 -0.58 -4.91 118.16 117.86 1bnz n LYS 19 Ca -0.02 -0.72 -0.42 0.00 -2.02 0.00 0.00 58.31 55.14 1bnz n LYS 19 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1bnz n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bnz s ILE 20 N -2.33 4.50 -0.13 -0.18 1.01 -0.84 -0.78 121.20 122.45 1bnz s ILE 20 Ca 0.28 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.61 1bnz s ILE 20 Cb 0.20 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1bnz s ILE 20 CO 0.46 0.11 -0.22 0.29 0.00 0.00 0.00 174.94 175.58 1bnz n LYS 21 N 4.14 0.39 -4.91 2.79 5.02 0.54 -4.96 118.16 121.17 1bnz n LYS 21 Ca 0.08 0.29 -0.31 0.00 -2.02 0.00 0.00 58.31 56.35 1bnz n LYS 21 Cb 0.49 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1bnz n LYS 21 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1bnz s LYS 22 N -2.27 2.01 -0.02 1.97 2.20 -1.21 -4.96 119.74 117.46 1bnz s LYS 22 Ca -0.18 -1.00 0.02 0.00 -0.36 0.00 0.00 55.97 54.46 1bnz s LYS 22 Cb 0.02 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 1bnz s LYS 22 CO 0.27 0.54 -0.07 0.08 -0.36 0.00 0.00 175.35 175.80 1bnz s VAL 23 N -0.79 0.63 0.13 4.02 1.01 -1.26 -1.22 120.40 122.91 1bnz s VAL 23 Ca 0.12 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1bnz s VAL 23 Cb -0.10 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1bnz s VAL 23 CO 0.02 0.19 0.42 -1.66 0.00 0.00 0.00 175.10 174.08 1bnz s TRP 24 N 0.08 -0.23 -0.16 5.22 -2.14 -0.13 -4.40 118.94 117.17 1bnz s TRP 24 Ca -0.01 -0.07 -0.06 0.00 2.66 0.00 0.00 56.10 58.62 1bnz s TRP 24 Cb -0.06 0.29 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 1bnz s TRP 24 CO -0.00 -0.72 0.04 0.50 -2.66 0.00 0.00 176.95 174.11 1bnz s ARG 25 N -3.80 3.75 -0.31 3.25 3.52 -1.26 -0.83 118.95 123.27 1bnz s ARG 25 Ca 0.03 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1bnz s ARG 25 Cb 0.02 -3.11 0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1bnz s ARG 25 CO -0.12 0.37 0.09 0.54 -0.81 0.00 0.00 175.30 175.38 1bnz s VAL 26 N 0.07 0.91 0.00 7.11 0.11 -0.41 -4.96 120.40 123.23 1bnz s VAL 26 Ca 0.04 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1bnz s VAL 26 Cb -0.12 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1bnz s VAL 26 CO 0.01 -0.65 0.00 0.61 -3.33 0.00 0.00 175.10 171.74 1bnz n GLY 27 N 4.84 1.68 0.19 6.54 0.00 -1.26 -1.53 105.19 115.64 1bnz n GLY 27 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1bnz n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bnz n LYS 28 N 1.25 2.24 -4.32 1.61 5.02 -1.26 -5.01 118.16 117.69 1bnz n LYS 28 Ca 0.00 -2.17 -0.28 0.00 -2.02 0.00 0.00 58.31 53.84 1bnz n LYS 28 Cb 0.00 -1.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 1bnz n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnz s MET 29 N -2.02 1.84 -0.31 1.97 0.23 -0.59 -3.33 119.30 117.09 1bnz s MET 29 Ca 0.21 -1.28 -0.05 0.00 -1.03 0.00 0.00 55.69 53.54 1bnz s MET 29 Cb 0.17 -2.08 0.03 0.00 -1.53 0.00 0.00 34.83 31.42 1bnz s MET 29 CO 0.04 0.45 0.06 0.42 -2.03 0.00 0.00 175.02 173.95 1bnz s ILE 30 N -1.46 3.60 0.06 3.16 -1.09 -0.17 -1.28 121.20 124.01 1bnz s ILE 30 Ca 0.21 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1bnz s ILE 30 Cb -0.09 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1bnz s ILE 30 CO 0.12 -0.04 0.17 -0.44 -1.23 0.00 0.00 174.94 173.52 1bnz s SER 31 N 1.40 6.14 0.16 3.58 0.01 -0.01 -1.16 113.70 123.82 1bnz s SER 31 Ca -0.01 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.30 1bnz s SER 31 Cb -0.18 -1.84 0.02 0.00 0.21 0.00 0.00 66.02 64.23 1bnz s SER 31 CO 0.01 0.18 0.43 0.72 0.41 0.00 0.00 173.24 174.99 1bnz s PHE 32 N -1.46 -0.05 0.07 2.43 -0.12 0.60 -0.96 117.98 118.48 1bnz s PHE 32 Ca 0.33 -0.29 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 1bnz s PHE 32 Cb -0.13 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1bnz s PHE 32 CO 0.26 -0.80 -0.15 0.95 -0.05 0.00 0.00 175.22 175.43 1bnz s THR 33 N -3.86 3.04 0.13 -4.49 -4.23 -0.36 -1.75 115.64 104.11 1bnz s THR 33 Ca 0.08 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1bnz s THR 33 Cb 0.01 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1bnz s THR 33 CO -0.06 0.23 0.07 -0.72 -0.54 0.00 0.00 174.62 173.60 1bnz s TYR 34 N -1.06 0.78 -0.27 3.99 1.13 -0.61 -0.34 117.35 120.97 1bnz s TYR 34 Ca 0.17 -1.17 -0.20 0.00 -1.41 0.00 0.00 57.07 54.46 1bnz s TYR 34 Cb -0.11 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 1bnz s TYR 34 CO 0.09 -0.52 0.63 0.34 -2.51 0.00 0.00 175.55 173.58 1bnz s ASP 35 N -3.03 6.56 -0.34 -0.18 2.15 0.04 -0.54 116.67 121.34 1bnz s ASP 35 Ca 0.22 0.64 0.08 0.00 0.43 0.00 0.00 52.55 53.92 1bnz s ASP 35 Cb 0.07 -2.34 0.57 0.00 -0.30 0.00 0.00 42.92 40.93 1bnz s ASP 35 CO 0.00 -0.40 1.62 -1.84 -0.17 0.00 0.00 175.17 174.38 1bnz n GLU 36 N 5.76 2.14 0.00 4.34 0.28 -0.82 -4.92 120.64 127.43 1bnz n GLU 36 Ca -0.01 -3.11 0.00 0.00 -0.16 0.00 0.00 57.16 53.88 1bnz n GLU 36 Cb 0.49 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.41 1bnz n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bnz n GLY 37 N -1.04 -0.54 7.00 -1.84 0.00 -1.26 -4.89 105.19 102.62 1bnz n GLY 37 Ca 0.41 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1bnz n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnz n GLY 38 N -0.44 2.83 0.58 -0.02 0.00 -1.26 -2.27 105.19 104.61 1bnz n GLY 38 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1bnz n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnz n GLY 39 N 0.00 0.19 3.74 -0.02 0.00 -1.26 -5.02 105.19 102.82 1bnz n GLY 39 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1bnz n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnz s LYS 40 N -1.64 4.32 -0.14 1.61 -2.85 -0.96 -4.99 119.74 115.09 1bnz s LYS 40 Ca 0.18 2.19 -0.04 0.00 -1.00 0.00 0.00 55.97 57.30 1bnz s LYS 40 Cb 0.14 -3.15 -0.03 0.00 -2.06 0.00 0.00 37.83 32.73 1bnz s LYS 40 CO 0.29 -0.35 -0.02 0.99 0.10 0.00 0.00 175.35 176.37 1bnz s THR 41 N 0.08 4.09 0.43 3.79 2.01 -1.26 -1.94 115.64 122.84 1bnz s THR 41 Ca 0.58 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1bnz s THR 41 Cb -0.39 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1bnz s THR 41 CO 0.41 0.52 0.44 -0.83 -0.69 0.00 0.00 174.62 174.47 1bnz s GLY 42 N 0.02 2.09 0.07 4.40 0.00 0.30 -4.93 107.32 109.28 1bnz s GLY 42 Ca 0.02 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 42.95 1bnz s GLY 42 CO 0.02 -1.66 -0.09 0.50 0.00 0.00 0.00 173.10 171.88 1bnz s ARG 43 N -4.21 0.72 0.06 2.90 0.52 -1.26 -1.58 118.95 116.09 1bnz s ARG 43 Ca 0.50 -1.01 -0.28 0.00 -0.52 0.00 0.00 55.73 54.42 1bnz s ARG 43 Cb -0.05 -0.40 0.09 0.00 0.52 0.00 0.00 34.95 35.11 1bnz s ARG 43 CO 0.29 0.06 1.05 0.20 0.02 0.00 0.00 175.30 176.92 1bnz s GLY 44 N -2.15 -0.32 -0.05 -3.53 0.00 -0.72 -4.96 107.32 95.59 1bnz s GLY 44 Ca -0.00 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.99 1bnz s GLY 44 CO -0.01 0.13 0.57 0.00 0.00 0.00 0.00 173.10 173.80 1bnz s ALA 45 N -2.98 -1.49 0.15 3.20 0.00 -1.26 -0.29 121.76 119.09 1bnz s ALA 45 Ca 0.11 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1bnz s ALA 45 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1bnz s ALA 45 CO -0.02 -0.34 0.04 0.14 0.00 0.00 0.00 175.76 175.58 1bnz s VAL 46 N -1.18 0.32 0.44 0.00 -7.23 -0.31 -4.57 120.40 107.86 1bnz s VAL 46 Ca -0.11 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1bnz s VAL 46 Cb -0.02 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1bnz s VAL 46 CO 0.08 -0.46 1.06 -0.55 -0.31 0.00 0.00 175.10 174.92 1bnz s SER 47 N -3.10 6.52 0.22 4.85 0.15 -1.26 -1.00 113.70 120.08 1bnz s SER 47 Ca 0.24 2.03 -0.10 0.00 0.70 0.00 0.00 55.95 58.82 1bnz s SER 47 Cb 0.07 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 62.12 1bnz s SER 47 CO 0.03 -0.66 1.66 -0.08 1.20 0.00 0.00 173.24 175.39 1bnz h GLU 48 N 2.09 0.13 -0.04 5.44 4.22 -1.91 -0.64 114.58 123.88 1bnz h GLU 48 Ca -0.49 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 58.95 1bnz h GLU 48 Cb 1.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1bnz h GLU 48 CO 0.61 0.08 0.04 1.57 -2.18 0.00 0.00 179.01 179.13 1bnz h LYS 49 N 0.13 0.00 -0.06 1.92 2.10 -1.92 -1.93 116.57 116.80 1bnz h LYS 49 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1bnz h LYS 49 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1bnz h LYS 49 CO -0.53 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.67 1bnz n ASP 50 N -3.93 1.81 -4.68 7.07 8.00 -0.26 -4.91 116.55 119.66 1bnz n ASP 50 Ca -0.02 -1.63 -0.41 0.00 0.71 0.00 0.00 54.79 53.44 1bnz n ASP 50 Cb 0.13 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1bnz n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bnz s ALA 51 N -1.94 3.49 0.64 2.24 0.00 -0.73 -4.90 121.76 120.57 1bnz s ALA 51 Ca 0.36 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 1bnz s ALA 51 Cb 0.20 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1bnz s ALA 51 CO 0.31 -0.60 1.29 -2.30 0.00 0.00 0.00 175.76 174.46 1bnz n PRO 52 N 5.10 1.15 0.05 0.00 -0.02 -1.26 -4.82 135.00 135.20 1bnz n PRO 52 Ca 0.05 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 62.15 1bnz n PRO 52 Cb 0.49 -2.53 0.68 0.00 -0.02 0.00 0.00 33.50 32.12 1bnz n PRO 52 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1bnz h LYS 53 N 0.58 0.00 -0.15 -0.52 3.64 -1.95 -1.15 116.57 117.02 1bnz h LYS 53 Ca -0.51 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.72 1bnz h LYS 53 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1bnz h LYS 53 CO 0.53 0.00 -0.54 0.93 -2.27 0.00 0.00 179.45 178.10 1bnz h GLU 54 N 0.00 0.43 -0.09 1.90 3.07 -1.89 -1.27 114.58 116.73 1bnz h GLU 54 Ca 0.20 -0.27 -0.15 0.00 -0.50 0.00 0.00 59.36 58.64 1bnz h GLU 54 Cb 0.82 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1bnz h GLU 54 CO -0.00 0.87 -0.61 1.25 -1.40 0.00 0.00 179.01 179.11 1bnz h LEU 55 N 0.34 0.37 -0.79 1.33 5.85 -1.53 -2.76 115.31 118.11 1bnz h LEU 55 Ca 0.01 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 1bnz h LEU 55 Cb 1.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1bnz h LEU 55 CO 0.10 0.89 -0.59 -0.07 -0.34 0.00 0.00 178.44 178.43 1bnz h LEU 56 N 0.24 0.00 -0.51 2.25 3.38 -1.04 -2.36 115.31 117.27 1bnz h LEU 56 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1bnz h LEU 56 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1bnz h LEU 56 CO 0.10 0.59 -0.70 1.56 0.09 0.00 0.00 178.44 180.08 1bnz h GLN 57 N 0.00 0.25 -0.20 1.13 4.20 -1.13 -2.28 115.11 117.08 1bnz h GLN 57 Ca -0.01 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1bnz h GLN 57 Cb 1.07 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1bnz h GLN 57 CO 0.08 0.85 -0.49 0.52 -0.67 0.00 0.00 178.83 179.12 1bnz h MET 58 N 0.17 0.53 0.81 1.46 2.86 -1.36 -2.06 114.93 117.35 1bnz h MET 58 Ca -0.02 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1bnz h MET 58 Cb 1.26 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.95 1bnz h MET 58 CO 0.11 0.90 -0.39 1.25 1.06 0.00 0.00 176.91 179.84 1bnz h LEU 59 N 0.42 -0.92 -1.91 1.22 5.85 -1.28 -1.55 115.31 117.15 1bnz h LEU 59 Ca 0.02 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1bnz h LEU 59 Cb 1.01 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1bnz h LEU 59 CO 0.09 -0.56 0.25 -0.33 -0.34 0.00 0.00 178.44 177.55 1bnz h GLU 60 N -1.29 0.11 0.00 1.25 5.08 -1.46 0.65 114.58 118.92 1bnz h GLU 60 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1bnz h GLU 60 Cb 0.83 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1bnz h GLU 60 CO 0.18 0.07 -0.05 0.87 -1.00 0.00 0.00 179.01 179.09 1bnz h LYS 61 N 0.11 0.00 0.00 2.33 1.57 -1.32 -3.40 116.57 115.86 1bnz h LYS 61 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1bnz h LYS 61 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1bnz h LYS 61 CO -0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.90 1bnz n GLN 62 N -2.55 0.00 -3.37 3.15 6.02 0.86 -5.03 117.38 116.45 1bnz n GLN 62 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 1bnz n GLN 62 Cb 0.47 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.81 1bnz n GLN 62 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1bnz n LYS 63 N -0.53 -5.91 0.00 -1.09 4.81 0.19 -5.06 118.16 110.57 1bnz n LYS 63 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1bnz n LYS 63 Cb 0.00 -5.77 0.00 0.00 0.02 0.00 0.00 35.03 29.28 1bnz n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20