#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3k s GLU 2 N 0.00 0.69 0.00 2.89 2.56 -1.26 -5.09 118.70 118.49 1z3k s GLU 2 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 54.97 53.34 1z3k s GLU 2 Cb 0.00 -1.33 0.00 0.00 2.00 0.00 0.00 34.13 34.80 1z3k s GLU 2 CO 0.00 -1.28 0.00 0.91 -0.56 0.00 0.00 175.26 174.33 1z3k n TRP 3 N 3.56 0.00 -2.86 5.30 7.02 -1.26 -4.66 117.44 124.54 1z3k n TRP 3 Ca 0.19 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.25 1z3k n TRP 3 Cb 0.42 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.26 1z3k n TRP 3 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1z3k s TYR 4 N 3.97 3.03 0.67 -5.99 -0.85 -1.26 -4.89 117.35 112.03 1z3k s TYR 4 Ca 0.00 0.54 0.35 0.00 -0.52 0.00 0.00 57.07 57.44 1z3k s TYR 4 Cb 0.00 -3.69 1.89 0.00 0.38 0.00 0.00 41.96 40.54 1z3k s TYR 4 CO 0.00 -0.90 2.06 -0.92 -1.52 0.00 0.00 175.55 174.27 1z3k h TYR 5 N 8.71 0.00 0.00 -3.49 3.20 -2.01 -3.43 116.97 119.95 1z3k h TYR 5 Ca -0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1z3k h TYR 5 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1z3k h TYR 5 CO 0.83 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.76 1z3k n GLY 6 N -1.18 0.16 3.04 1.82 0.00 -1.26 -5.11 105.19 102.66 1z3k n GLY 6 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1z3k n GLY 6 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1z3k s ASN 7 N -0.28 0.02 0.30 1.61 -0.87 -1.26 -4.92 114.94 109.53 1z3k s ASN 7 Ca 0.00 0.58 -0.08 0.00 -1.57 0.00 0.00 52.86 51.79 1z3k s ASN 7 Cb 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 41.25 41.80 1z3k s ASN 7 CO 0.00 -0.20 0.47 -0.69 -2.57 0.00 0.00 177.10 174.11 1z3k s VAL 8 N 1.83 0.00 0.00 1.60 1.01 -1.26 -4.78 120.40 118.80 1z3k s VAL 8 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1z3k s VAL 8 Cb -0.11 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1z3k s VAL 8 CO -0.09 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.36 1z3k n THR 9 N -0.47 0.00 0.00 3.92 -2.24 -1.26 -4.61 114.28 109.62 1z3k n THR 9 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1z3k n THR 9 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1z3k n THR 9 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1z3k n ARG 10 N -0.37 0.00 -0.06 -0.78 3.00 -1.26 0.13 116.66 117.32 1z3k n ARG 10 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1z3k n ARG 10 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1z3k n HIS 11 N 0.00 0.00 -0.03 -0.14 -0.00 -1.26 -4.39 115.22 109.41 1z3k n HIS 11 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 1z3k n HIS 11 Cb 0.00 -0.44 -0.11 0.00 -0.00 0.00 0.00 29.99 29.43 1z3k n HIS 11 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1z3k h GLN 12 N -0.22 0.18 -0.89 1.57 4.20 0.81 -2.58 115.11 118.17 1z3k h GLN 12 Ca -0.29 -0.19 0.26 0.00 0.06 0.00 0.00 58.65 58.49 1z3k h GLN 12 Cb 1.34 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 1z3k h GLN 12 CO -0.12 0.93 0.69 0.00 -0.67 0.00 0.00 178.83 179.66 1z3k h ALA 13 N 0.26 2.80 -0.06 3.87 0.00 -1.78 1.34 119.26 125.70 1z3k h ALA 13 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1z3k h ALA 13 Cb 1.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1z3k h ALA 13 CO 0.05 -1.15 -0.15 0.93 0.00 0.00 0.00 179.25 178.93 1z3k h GLU 14 N 0.00 0.20 -0.22 0.00 4.39 -1.74 0.14 114.58 117.35 1z3k h GLU 14 Ca 0.42 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 60.05 1z3k h GLU 14 Cb 1.81 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 1z3k h GLU 14 CO -0.00 0.75 0.67 0.00 -1.16 0.00 0.00 179.01 179.27 1z3k n ALA 16 N -1.91 1.49 0.84 0.00 0.00 -0.62 -4.45 120.51 115.87 1z3k n ALA 16 Ca 0.04 -1.22 0.10 0.00 0.00 0.00 0.00 53.44 52.36 1z3k n ALA 16 Cb 0.77 -0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 1z3k n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1z3k n LEU 17 N -2.93 0.84 -1.14 0.00 4.77 0.14 -3.62 117.00 115.06 1z3k n LEU 17 Ca -0.37 -0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 55.05 1z3k n LEU 17 Cb 1.08 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.10 1z3k n LEU 17 CO 0.35 0.21 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.28 1z3k n ASN 18 N -1.62 -5.14 0.00 -1.43 5.15 2.86 -4.14 115.26 110.93 1z3k n ASN 18 Ca 0.03 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1z3k n ASN 18 Cb 0.37 -3.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 1z3k n ASN 18 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1z3k n GLU 19 N -2.10 0.00 0.00 1.20 1.02 -1.21 -4.97 120.64 114.58 1z3k n GLU 19 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1z3k n GLU 19 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1z3k n GLU 19 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1z3k n ARG 20 N 0.00 0.00 -3.15 3.49 1.85 -1.26 -4.70 116.66 112.90 1z3k n ARG 20 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 1z3k n ARG 20 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1z3k n GLY 21 N 0.00 4.12 3.39 2.89 0.00 -1.26 -3.58 105.19 110.74 1z3k n GLY 21 Ca 0.00 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1z3k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z3k s VAL 22 N -2.75 3.76 0.00 1.61 -7.23 -1.26 -4.75 120.40 109.78 1z3k s VAL 22 Ca 0.41 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1z3k s VAL 22 Cb 0.28 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1z3k s VAL 22 CO -0.09 0.41 0.00 -1.84 -0.31 0.00 0.00 175.10 173.26 1z3k n GLU 23 N 4.61 0.00 -2.73 4.82 0.28 -1.26 -3.09 120.64 123.27 1z3k n GLU 23 Ca -0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.78 1z3k n GLU 23 Cb 0.51 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.41 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1z3k n GLY 24 N 0.00 -0.91 3.38 -1.84 0.00 -1.26 -4.79 105.19 99.76 1z3k n GLY 24 Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.41 1z3k n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z3k s ASP 25 N 0.47 3.43 -0.02 1.61 2.15 -1.18 -4.79 116.67 118.35 1z3k s ASP 25 Ca 0.28 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.89 1z3k s ASP 25 Cb 0.08 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.19 1z3k s ASP 25 CO -0.10 0.31 -0.10 0.12 -0.17 0.00 0.00 175.17 175.24 1z3k s PHE 26 N -0.70 0.98 -0.06 -5.34 2.19 -1.25 -2.02 117.98 111.78 1z3k s PHE 26 Ca 0.11 -0.23 -0.02 0.00 0.33 0.00 0.00 56.93 57.12 1z3k s PHE 26 Cb -0.10 -0.68 0.03 0.00 -1.31 0.00 0.00 43.02 40.96 1z3k s PHE 26 CO 0.00 -0.08 0.05 -0.48 1.83 0.00 0.00 175.22 176.54 1z3k s LEU 27 N 0.09 0.29 -0.08 6.12 0.05 -0.93 -2.99 118.68 121.22 1z3k s LEU 27 Ca -0.01 -0.04 -0.00 0.00 0.05 0.00 0.00 54.13 54.13 1z3k s LEU 27 Cb -0.08 -0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 43.80 1z3k s LEU 27 CO 0.00 -0.25 -0.05 -0.51 -0.55 0.00 0.00 176.35 175.00 1z3k s ILE 28 N 2.11 3.83 0.12 1.48 2.07 -1.25 -2.09 121.20 127.47 1z3k s ILE 28 Ca 0.05 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.90 1z3k s ILE 28 Cb -0.12 -2.59 -0.04 0.00 0.13 0.00 0.00 42.46 39.84 1z3k s ILE 28 CO -0.04 0.59 -0.11 0.00 -1.91 0.00 0.00 174.94 173.47 1z3k s ARG 29 N -0.69 0.94 -0.32 3.50 1.70 0.33 -4.92 118.95 119.50 1z3k s ARG 29 Ca 0.10 -1.27 -0.23 0.00 -0.47 0.00 0.00 55.73 53.87 1z3k s ARG 29 Cb -0.11 -0.61 0.00 0.00 -0.57 0.00 0.00 34.95 33.66 1z3k s ARG 29 CO 0.02 0.09 0.78 -0.51 -1.08 0.00 0.00 175.30 174.60 1z3k s ASP 30 N -2.69 6.63 0.01 -2.89 1.01 -1.26 -0.47 116.67 117.01 1z3k s ASP 30 Ca 0.10 0.58 -0.16 0.00 0.71 0.00 0.00 52.55 53.77 1z3k s ASP 30 Cb -0.01 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 1z3k s ASP 30 CO 0.00 -0.64 0.45 -0.44 0.21 0.00 0.00 175.17 174.76 1z3k s SER 31 N 1.67 6.87 0.00 0.27 0.01 0.16 -4.97 113.70 117.72 1z3k s SER 31 Ca 0.32 1.03 0.27 0.00 1.31 0.00 0.00 55.95 58.88 1z3k s SER 31 Cb -0.14 -2.28 0.94 0.00 0.21 0.00 0.00 66.02 64.75 1z3k s SER 31 CO 0.14 0.30 1.72 -0.62 0.41 0.00 0.00 173.24 175.18 1z3k n GLU 32 N 1.88 0.01 -0.25 12.44 1.02 -1.26 -4.00 120.64 130.48 1z3k n GLU 32 Ca -0.13 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.06 1z3k n GLU 32 Cb 0.52 -1.51 0.17 0.00 -0.02 0.00 0.00 31.44 30.61 1z3k n GLU 32 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1z3k h SER 33 N 0.00 0.16 -2.93 1.62 4.64 -1.93 -3.43 113.55 111.68 1z3k h SER 33 Ca 0.00 0.12 -0.51 0.00 -0.47 0.00 0.00 61.79 60.94 1z3k h SER 33 Cb 0.51 0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 62.59 1z3k h SER 33 CO 0.00 0.04 -0.60 -0.55 -0.87 0.00 0.00 176.83 174.85 1z3k s SER 34 N -5.30 2.67 0.00 4.97 0.15 -1.26 -5.03 113.70 109.90 1z3k s SER 34 Ca -0.13 -1.39 0.26 0.00 0.70 0.00 0.00 55.95 55.40 1z3k s SER 34 Cb 0.20 -0.12 1.47 0.00 -1.71 0.00 0.00 66.02 65.87 1z3k s SER 34 CO 0.76 -0.59 1.91 -0.81 1.20 0.00 0.00 173.24 175.71 1z3k n PRO 35 N -0.75 0.65 -1.65 5.44 -0.04 -1.26 -3.72 135.00 133.67 1z3k n PRO 35 Ca -0.03 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.40 1z3k n PRO 35 Cb 0.67 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 1z3k n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1z3k n SER 36 N -1.11 -1.00 -4.66 3.54 7.64 -1.26 -5.07 113.62 111.69 1z3k n SER 36 Ca 0.17 -2.08 -0.37 0.00 1.01 0.00 0.00 58.87 57.61 1z3k n SER 36 Cb 0.13 0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 1z3k n SER 36 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1z3k s ASP 37 N -1.17 6.15 0.16 6.43 1.01 -1.24 -3.39 116.67 124.62 1z3k s ASP 37 Ca 0.05 0.16 0.07 0.00 0.71 0.00 0.00 52.55 53.54 1z3k s ASP 37 Cb 0.18 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1z3k s ASP 37 CO -0.05 0.05 -0.14 -0.36 0.21 0.00 0.00 175.17 174.88 1z3k s PHE 38 N 1.06 1.55 -0.01 4.23 0.08 0.12 0.41 117.98 125.42 1z3k s PHE 38 Ca 0.09 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.60 1z3k s PHE 38 Cb -0.14 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1z3k s PHE 38 CO 0.05 0.24 -0.11 0.45 -0.10 0.00 0.00 175.22 175.74 1z3k s SER 39 N -2.87 1.32 -0.10 1.36 0.15 0.38 0.27 113.70 114.22 1z3k s SER 39 Ca 0.16 -0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1z3k s SER 39 Cb -0.03 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.14 1z3k s SER 39 CO 0.04 0.13 0.23 0.54 1.20 0.00 0.00 173.24 175.38 1z3k s VAL 40 N -0.18 -0.09 -0.06 4.45 0.11 -1.05 0.12 120.40 123.71 1z3k s VAL 40 Ca 0.03 0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.30 1z3k s VAL 40 Cb -0.05 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1z3k s VAL 40 CO -0.00 0.07 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.22 1z3k s SER 41 N 1.42 3.70 0.23 3.54 0.01 -0.89 -2.64 113.70 119.08 1z3k s SER 41 Ca -0.08 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 56.97 1z3k s SER 41 Cb -0.11 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.17 1z3k s SER 41 CO -0.08 0.29 -0.18 -0.22 0.41 0.00 0.00 173.24 173.46 1z3k s LEU 42 N -0.42 2.55 0.09 2.44 2.96 -0.70 -2.19 118.68 123.41 1z3k s LEU 42 Ca 0.05 -1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 52.79 1z3k s LEU 42 Cb -0.12 -0.90 -0.07 0.00 0.50 0.00 0.00 46.19 45.60 1z3k s LEU 42 CO 0.02 -0.05 0.53 -0.75 -1.32 0.00 0.00 176.35 174.78 1z3k s LYS 43 N -3.44 4.07 0.16 1.98 2.47 -0.86 -2.26 119.74 121.86 1z3k s LYS 43 Ca 0.25 0.59 0.03 0.00 -1.56 0.00 0.00 55.97 55.28 1z3k s LYS 43 Cb -0.04 -3.12 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 1z3k s LYS 43 CO 0.10 0.59 0.10 0.00 0.16 0.00 0.00 175.35 176.30 1z3k n ALA 44 N 1.40 0.29 -1.74 3.13 0.00 0.60 -4.73 120.51 119.45 1z3k n ALA 44 Ca -0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 1z3k n ALA 44 Cb 0.51 0.66 -0.10 0.00 0.00 0.00 0.00 19.45 20.53 1z3k n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1z3k s SER 45 N -2.07 3.91 0.00 0.00 0.15 -1.26 -3.31 113.70 111.13 1z3k s SER 45 Ca 0.14 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1z3k s SER 45 Cb 0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1z3k s SER 45 CO 0.10 -4.24 0.00 0.61 1.20 0.00 0.00 173.24 170.91 1z3k n GLY 46 N 6.09 2.09 3.78 9.45 0.00 -1.26 -4.95 105.19 120.38 1z3k n GLY 46 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1z3k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z3k s LYS 47 N 0.00 2.52 0.13 1.61 -0.14 -1.21 -4.93 119.74 117.72 1z3k s LYS 47 Ca 0.00 -1.43 0.09 0.00 -1.36 0.00 0.00 55.97 53.27 1z3k s LYS 47 Cb 0.00 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1z3k s LYS 47 CO 0.00 0.13 -0.21 1.21 -0.76 0.00 0.00 175.35 175.72 1z3k s ASN 48 N -3.89 2.73 -0.25 2.83 2.47 -1.26 -0.29 114.94 117.28 1z3k s ASN 48 Ca 0.38 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.91 1z3k s ASN 48 Cb -0.04 -0.16 0.07 0.00 -1.45 0.00 0.00 41.25 39.67 1z3k s ASN 48 CO 0.24 0.05 -0.02 -1.59 -3.72 0.00 0.00 177.10 172.06 1z3k s LYS 49 N -2.25 1.38 -0.01 0.43 -2.85 -0.96 -4.97 119.74 110.51 1z3k s LYS 49 Ca 0.11 -0.99 0.04 0.00 -1.00 0.00 0.00 55.97 54.13 1z3k s LYS 49 Cb -0.09 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 1z3k s LYS 49 CO 0.06 -0.67 -0.13 -3.38 0.10 0.00 0.00 175.35 171.32 1z3k s HIS 50 N 1.44 2.71 0.07 1.78 -3.43 -1.26 -1.71 115.29 114.89 1z3k s HIS 50 Ca -0.02 -0.15 -0.11 0.00 -0.80 0.00 0.00 55.06 53.97 1z3k s HIS 50 Cb -0.18 -1.58 0.01 0.00 -1.43 0.00 0.00 32.58 29.39 1z3k s HIS 50 CO -0.09 0.25 0.25 -0.06 -2.00 0.00 0.00 174.74 173.10 1z3k s PHE 51 N -0.85 0.01 -0.10 0.38 0.40 -1.08 -5.03 117.98 111.71 1z3k s PHE 51 Ca 0.14 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1z3k s PHE 51 Cb -0.11 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.43 1z3k s PHE 51 CO 0.03 -0.53 -0.01 0.21 0.70 0.00 0.00 175.22 175.62 1z3k s LYS 52 N -3.21 3.12 -0.31 0.44 2.20 -1.26 -2.52 119.74 118.20 1z3k s LYS 52 Ca -0.00 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1z3k s LYS 52 Cb 0.02 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.58 1z3k s LYS 52 CO -0.07 0.59 0.01 0.08 -0.36 0.00 0.00 175.35 175.60 1z3k s VAL 53 N -0.59 2.99 0.05 4.02 1.01 0.14 -0.76 120.40 127.27 1z3k s VAL 53 Ca 0.09 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1z3k s VAL 53 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1z3k s VAL 53 CO 0.02 -0.14 -0.22 -1.58 0.00 0.00 0.00 175.10 173.18 1z3k s GLN 54 N 1.24 1.40 -0.35 2.72 0.74 -0.63 0.12 119.66 124.90 1z3k s GLN 54 Ca -0.04 -1.00 -0.25 0.00 0.05 0.00 0.00 55.36 54.12 1z3k s GLN 54 Cb -0.20 -1.55 0.01 0.00 1.10 0.00 0.00 33.01 32.37 1z3k s GLN 54 CO -0.01 0.39 0.88 -1.17 -0.55 0.00 0.00 175.29 174.83 1z3k s LEU 55 N -1.29 4.04 -0.07 3.68 1.98 -1.22 -0.17 118.68 125.63 1z3k s LEU 55 Ca 0.08 0.59 0.01 0.00 -2.89 0.00 0.00 54.13 51.92 1z3k s LEU 55 Cb -0.09 -3.20 -0.03 0.00 0.66 0.00 0.00 46.19 43.53 1z3k s LEU 55 CO 0.02 -0.79 -0.08 0.54 -1.89 0.00 0.00 176.35 174.15 1z3k s VAL 56 N 3.31 3.56 -0.92 1.68 0.11 0.75 -4.74 120.40 124.14 1z3k s VAL 56 Ca 0.36 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1z3k s VAL 56 Cb -0.13 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1z3k s VAL 56 CO 0.17 0.59 0.07 -0.90 -3.33 0.00 0.00 175.10 171.70 1z3k n ASP 57 N 2.39 0.07 -1.74 3.54 5.68 -1.26 0.29 116.55 125.51 1z3k n ASP 57 Ca -0.18 -0.79 -0.15 0.00 -0.50 0.00 0.00 54.79 53.17 1z3k n ASP 57 Cb 0.53 -0.98 -0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1z3k n ASN 58 N -1.55 -4.45 -3.99 -1.12 5.15 -1.26 -5.00 115.26 103.04 1z3k n ASN 58 Ca -0.18 -0.05 -0.10 0.00 -0.60 0.00 0.00 54.58 53.65 1z3k n ASN 58 Cb 0.42 -3.55 -0.11 0.00 -0.53 0.00 0.00 39.78 36.00 1z3k n ASN 58 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1z3k s VAL 59 N -2.77 0.16 -0.22 3.44 1.01 0.84 -5.11 120.40 117.75 1z3k s VAL 59 Ca 0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1z3k s VAL 59 Cb -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1z3k s VAL 59 CO 0.05 -0.47 0.36 -0.31 0.00 0.00 0.00 175.10 174.74 1z3k s TYR 60 N -1.40 3.34 -0.18 5.22 2.02 -0.78 0.27 117.35 125.85 1z3k s TYR 60 Ca -0.15 0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 57.03 1z3k s TYR 60 Cb -0.10 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1z3k s TYR 60 CO -0.01 -0.04 0.02 0.00 -1.57 0.00 0.00 175.55 173.95 1z3k s ILE 62 N 0.48 3.13 0.00 0.00 -1.09 -0.27 -1.60 121.20 121.84 1z3k s ILE 62 Ca 0.00 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1z3k s ILE 62 Cb -0.13 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1z3k s ILE 62 CO 0.02 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 1z3k n GLY 63 N 4.67 1.13 2.52 6.18 0.00 0.06 -2.67 105.19 117.07 1z3k n GLY 63 Ca -0.14 0.31 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1z3k n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3k n GLN 64 N 0.00 2.41 -3.75 1.61 0.00 -1.26 -4.63 117.38 111.75 1z3k n GLN 64 Ca 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 57.00 53.08 1z3k n GLN 64 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 30.24 28.40 1z3k n GLN 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1z3k s ARG 65 N -3.51 1.57 -0.14 2.61 0.52 -1.09 -5.16 118.95 113.75 1z3k s ARG 65 Ca 0.38 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1z3k s ARG 65 Cb 0.40 0.57 -0.01 0.00 0.52 0.00 0.00 34.95 36.43 1z3k s ARG 65 CO -0.04 -0.69 -0.16 1.03 0.02 0.00 0.00 175.30 175.46 1z3k s ARG 66 N -3.88 3.25 0.10 3.54 1.81 -1.26 -1.12 118.95 121.38 1z3k s ARG 66 Ca 0.10 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1z3k s ARG 66 Cb -0.03 -2.57 -0.04 0.00 -0.45 0.00 0.00 34.95 31.85 1z3k s ARG 66 CO 0.01 0.11 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.63 1z3k s PHE 67 N 0.57 0.86 -0.05 -0.53 0.08 0.26 -4.95 117.98 114.21 1z3k s PHE 67 Ca -0.10 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1z3k s PHE 67 Cb -0.16 -0.51 0.08 0.00 -0.57 0.00 0.00 43.02 41.86 1z3k s PHE 67 CO 0.04 -0.20 1.13 1.58 -0.10 0.00 0.00 175.22 177.67 1z3k n HIS 68 N -0.04 0.36 -3.79 0.36 -0.00 -1.26 -1.86 115.22 108.99 1z3k n HIS 68 Ca -0.12 -0.67 -0.11 0.00 0.46 0.00 0.00 57.72 57.28 1z3k n HIS 68 Cb 0.61 -0.34 -0.08 0.00 -0.12 0.00 0.00 29.99 30.07 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1z3k s THR 69 N -0.39 0.09 0.00 3.57 -1.32 -1.26 -4.90 115.64 111.43 1z3k s THR 69 Ca 0.07 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1z3k s THR 69 Cb 0.06 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1z3k s THR 69 CO 0.01 -0.43 0.00 0.80 -2.21 0.00 0.00 174.62 172.79 1z3k n MET 70 N 0.59 0.00 0.00 7.08 1.56 -1.26 -4.39 117.12 120.70 1z3k n MET 70 Ca -0.19 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.31 1z3k n MET 70 Cb 0.59 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.92 1z3k n MET 70 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1z3k n ASP 71 N -1.06 0.97 0.18 6.12 2.03 -1.26 -4.31 116.55 119.22 1z3k n ASP 71 Ca 0.00 -0.99 0.12 0.00 0.52 0.00 0.00 54.79 54.45 1z3k n ASP 71 Cb 0.00 0.79 0.25 0.00 -0.72 0.00 0.00 41.12 41.44 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1z3k h GLU 72 N 0.62 0.00 0.00 -0.67 5.08 -1.99 -3.11 114.58 114.52 1z3k h GLU 72 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1z3k h GLU 72 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1z3k h GLU 72 CO 0.00 0.00 0.00 1.47 -1.00 0.00 0.00 179.01 179.48 1z3k n LEU 73 N -2.81 0.52 -0.02 1.33 -0.00 -1.26 -2.46 117.00 112.29 1z3k n LEU 73 Ca 0.05 0.57 0.14 0.00 -0.00 0.00 0.00 56.01 56.76 1z3k n LEU 73 Cb 0.49 -0.43 0.54 0.00 -0.00 0.00 0.00 43.42 44.02 1z3k n LEU 73 CO 0.33 -0.23 0.83 0.52 -0.00 0.00 0.00 177.39 178.84 1z3k n VAL 74 N -2.01 0.00 0.07 1.47 0.31 -1.17 0.23 118.33 117.23 1z3k n VAL 74 Ca 0.05 -0.01 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1z3k n VAL 74 Cb 0.34 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1z3k h GLU 75 N 0.08 0.00 0.00 5.55 4.39 -1.66 -3.41 114.58 119.54 1z3k h GLU 75 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1z3k h GLU 75 Cb 0.46 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.97 1z3k h GLU 75 CO 0.00 0.32 -0.37 0.72 -1.16 0.00 0.00 179.01 178.52 1z3k n HIS 76 N -2.97 0.00 -3.95 4.33 8.25 -1.20 -5.04 115.22 114.64 1z3k n HIS 76 Ca -0.05 -0.40 -0.38 0.00 -0.26 0.00 0.00 57.72 56.63 1z3k n HIS 76 Cb 0.78 0.34 0.01 0.00 1.12 0.00 0.00 29.99 32.24 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1z3k n TYR 77 N 0.08 -1.66 0.00 4.41 4.11 0.62 -4.97 117.16 119.74 1z3k n TYR 77 Ca -0.17 0.37 0.00 0.00 -0.00 0.00 0.00 57.90 58.10 1z3k n TYR 77 Cb 0.74 -2.81 0.00 0.00 -0.00 0.00 0.00 39.34 37.27 1z3k n TYR 77 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1z3k n LYS 78 N -4.10 0.00 -1.10 -3.48 4.76 -0.99 -4.47 118.16 108.78 1z3k n LYS 78 Ca -0.19 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.92 1z3k n LYS 78 Cb 0.61 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.78 1z3k n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1z3k n LYS 79 N 0.00 2.45 -4.08 1.97 4.76 -1.26 -4.86 118.16 117.15 1z3k n LYS 79 Ca 0.00 -1.88 -0.26 0.00 -2.87 0.00 0.00 58.31 53.31 1z3k n LYS 79 Cb 0.00 -2.75 -0.05 0.00 -1.84 0.00 0.00 35.03 30.39 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1z3k s ALA 80 N 3.43 3.60 -2.00 7.82 0.00 -1.26 -4.83 121.76 128.53 1z3k s ALA 80 Ca 0.51 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1z3k s ALA 80 Cb 0.13 -1.39 0.11 0.00 0.00 0.00 0.00 23.12 21.97 1z3k s ALA 80 CO -0.02 0.47 0.54 -0.35 0.00 0.00 0.00 175.76 176.40 1z3k n PRO 81 N -0.47 0.43 -1.73 0.00 -0.04 -1.26 -4.78 135.00 127.15 1z3k n PRO 81 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 1z3k n PRO 81 Cb 0.55 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1z3k n PRO 81 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1z3k s ILE 82 N -2.00 2.02 0.04 0.52 1.01 -1.26 -4.99 121.20 116.54 1z3k s ILE 82 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 1z3k s ILE 82 Cb 0.01 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1z3k s ILE 82 CO 0.02 0.00 0.07 0.12 0.00 0.00 0.00 174.94 175.16 1z3k s PHE 83 N 1.03 0.25 0.02 3.97 2.19 -1.05 -4.95 117.98 119.44 1z3k s PHE 83 Ca 0.73 -0.59 0.04 0.00 0.33 0.00 0.00 56.93 57.44 1z3k s PHE 83 Cb -0.50 -0.18 -0.02 0.00 -1.31 0.00 0.00 43.02 41.02 1z3k s PHE 83 CO 0.34 -0.36 -0.11 0.99 1.83 0.00 0.00 175.22 177.90 1z3k s THR 84 N -2.78 0.88 -0.08 0.12 2.01 -1.25 0.15 115.64 114.69 1z3k s THR 84 Ca -0.03 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1z3k s THR 84 Cb -0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1z3k s THR 84 CO -0.05 0.04 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.12 1z3k s SER 85 N -0.82 3.07 0.15 3.53 0.15 0.45 -4.94 113.70 115.30 1z3k s SER 85 Ca 0.01 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 55.98 1z3k s SER 85 Cb -0.06 -1.11 0.12 0.00 -1.71 0.00 0.00 66.02 63.25 1z3k s SER 85 CO 0.00 0.20 1.08 -0.62 1.20 0.00 0.00 173.24 175.11 1z3k n GLU 86 N 3.22 -0.20 -0.31 5.44 1.02 -1.26 0.23 120.64 128.78 1z3k n GLU 86 Ca -0.18 1.07 0.35 0.00 -0.02 0.00 0.00 57.16 58.37 1z3k n GLU 86 Cb 0.52 -1.58 0.71 0.00 -0.02 0.00 0.00 31.44 31.08 1z3k n GLU 86 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1z3k h HIS 87 N 0.00 0.00 0.00 -0.32 3.86 -2.07 -3.43 115.15 113.20 1z3k h HIS 87 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1z3k h HIS 87 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1z3k h HIS 87 CO -0.64 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.56 1z3k n GLY 88 N -1.75 0.86 3.56 2.45 0.00 0.62 -5.08 105.19 105.84 1z3k n GLY 88 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1z3k n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z3k s GLU 89 N 0.00 3.22 -0.03 1.61 8.01 -0.58 -4.80 118.70 126.14 1z3k s GLU 89 Ca 0.00 -0.10 0.02 0.00 0.01 0.00 0.00 54.97 54.90 1z3k s GLU 89 Cb 0.00 -4.16 -0.03 0.00 -4.31 0.00 0.00 34.13 25.63 1z3k s GLU 89 CO 0.00 -2.09 -0.07 0.15 0.01 0.00 0.00 175.26 173.25 1z3k s LYS 90 N 5.66 2.62 -0.53 1.61 1.02 -1.26 0.17 119.74 129.04 1z3k s LYS 90 Ca 0.38 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.75 1z3k s LYS 90 Cb -0.08 -2.52 0.14 0.00 -0.52 0.00 0.00 37.83 34.84 1z3k s LYS 90 CO 0.17 0.63 0.29 -0.51 -0.92 0.00 0.00 175.35 175.01 1z3k s LEU 91 N -1.14 3.94 0.09 3.17 2.01 0.39 -4.96 118.68 122.20 1z3k s LEU 91 Ca 0.15 -3.05 0.08 0.00 0.01 0.00 0.00 54.13 51.31 1z3k s LEU 91 Cb -0.11 -1.47 -0.03 0.00 0.01 0.00 0.00 46.19 44.59 1z3k s LEU 91 CO 0.05 -0.22 -0.20 -0.72 1.01 0.00 0.00 176.35 176.27 1z3k s TYR 92 N -0.31 1.73 -1.36 0.29 -0.85 -1.26 -2.54 117.35 113.04 1z3k s TYR 92 Ca 0.19 -0.42 -0.07 0.00 -0.52 0.00 0.00 57.07 56.25 1z3k s TYR 92 Cb -0.22 -0.96 0.10 0.00 0.38 0.00 0.00 41.96 41.26 1z3k s TYR 92 CO -0.03 0.18 2.36 1.28 -1.52 0.00 0.00 175.55 177.83 1z3k n LEU 93 N 1.16 7.85 0.00 -3.49 4.77 -1.26 -4.51 117.00 121.51 1z3k n LEU 93 Ca -0.20 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.04 1z3k n LEU 93 Cb 0.54 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1z3k n LEU 93 CO 0.22 1.90 0.00 0.55 -1.33 0.00 0.00 177.39 178.73 1z3k n VAL 94 N 2.41 0.00 -3.84 4.08 3.14 -1.26 -4.82 118.33 118.04 1z3k n VAL 94 Ca 0.60 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 62.00 1z3k n VAL 94 Cb 0.27 -0.83 0.01 0.00 -1.06 0.00 0.00 33.84 32.23 1z3k n VAL 94 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1z3k s ARG 95 N 0.00 0.49 -0.12 1.45 1.81 -1.16 -4.84 118.95 116.59 1z3k s ARG 95 Ca 0.00 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 1z3k s ARG 95 Cb 0.00 0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 1z3k s ARG 95 CO 0.00 -0.23 1.20 0.00 -0.68 0.00 0.00 175.30 175.60 1z3k s ALA 96 N -2.20 3.57 -0.38 2.13 0.00 -1.24 -3.80 121.76 119.84 1z3k s ALA 96 Ca 0.23 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1z3k s ALA 96 Cb 0.01 -3.56 0.18 0.00 0.00 0.00 0.00 23.12 19.76 1z3k s ALA 96 CO -0.01 -0.95 0.59 -0.51 0.00 0.00 0.00 175.76 174.88 1z3k s LEU 97 N 2.81 -1.40 0.00 0.00 1.02 -1.26 -4.58 118.68 115.28 1z3k s LEU 97 Ca 0.54 -0.66 0.27 0.00 0.02 0.00 0.00 54.13 54.30 1z3k s LEU 97 Cb -0.22 1.83 1.62 0.00 0.02 0.00 0.00 46.19 49.43 1z3k s LEU 97 CO 0.17 -0.21 1.96 0.00 0.02 0.00 0.00 176.35 178.30