#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5k h ASP 2 N 0.00 0.21 0.15 7.83 1.82 -1.95 -3.35 116.42 121.14 1k5k h ASP 2 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1k5k h ASP 2 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1k5k h ASP 2 CO 0.00 0.17 0.00 -0.81 -1.61 0.00 0.00 179.24 176.99 1k5k n PRO 3 N -4.49 0.22 0.00 0.28 -0.04 -1.26 -4.59 135.00 125.12 1k5k n PRO 3 Ca -0.00 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1k5k n PRO 3 Cb 0.09 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1k5k n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k5k n VAL 4 N -1.21 0.00 0.00 0.52 0.31 -1.26 -5.09 118.33 111.61 1k5k n VAL 4 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1k5k n VAL 4 Cb 0.08 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1k5k n VAL 4 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1k5k n ASP 5 N 0.00 0.39 -4.86 4.52 5.75 -1.26 -5.06 116.55 116.02 1k5k n ASP 5 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1k5k n ASP 5 Cb 0.00 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1k5k n ASP 5 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1k5k s PRO 6 N -1.09 3.28 0.00 0.11 0.04 -1.26 -4.48 135.00 131.59 1k5k s PRO 6 Ca 0.00 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1k5k s PRO 6 Cb 0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1k5k s PRO 6 CO 0.00 0.65 0.02 0.09 0.04 0.00 0.00 177.00 177.79 1k5k n ASN 7 N 0.85 0.00 -3.81 6.66 3.02 -1.26 -4.30 115.26 116.43 1k5k n ASN 7 Ca -0.10 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.18 1k5k n ASN 7 Cb 0.52 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 1k5k n ASN 7 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k5k s LEU 8 N -0.58 1.87 0.19 3.41 1.43 -1.26 -4.78 118.68 118.97 1k5k s LEU 8 Ca 0.00 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 51.97 1k5k s LEU 8 Cb 0.00 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 1k5k s LEU 8 CO 0.00 -0.30 0.42 -0.70 0.23 0.00 0.00 176.35 176.00 1k5k s GLU 9 N 1.65 3.59 0.22 1.70 2.12 -1.26 -5.05 118.70 121.67 1k5k s GLU 9 Ca -0.01 -0.14 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 1k5k s GLU 9 Cb -0.18 -2.80 0.28 0.00 0.26 0.00 0.00 34.13 31.69 1k5k s GLU 9 CO -0.10 0.39 1.39 -2.30 -0.54 0.00 0.00 175.26 174.10 1k5k n PRO 10 N -0.38 -0.17 -3.85 4.30 -0.02 -1.26 -3.91 135.00 129.72 1k5k n PRO 10 Ca -0.03 1.38 -0.23 0.00 -2.02 0.00 0.00 63.50 62.61 1k5k n PRO 10 Cb 0.53 -2.06 -0.17 0.00 -0.02 0.00 0.00 33.50 31.78 1k5k n PRO 10 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1k5k s TRP 11 N -5.93 0.78 -0.43 6.00 -0.00 -1.26 -4.66 118.94 113.44 1k5k s TRP 11 Ca -0.13 -0.24 0.03 0.00 -0.00 0.00 0.00 56.10 55.77 1k5k s TRP 11 Cb 0.20 -0.83 0.19 0.00 -0.00 0.00 0.00 33.47 33.03 1k5k s TRP 11 CO 0.66 -0.33 0.78 1.21 -0.00 0.00 0.00 176.95 179.27 1k5k s ASN 12 N 1.77 -1.18 -0.44 5.86 2.47 -1.25 -4.96 114.94 117.21 1k5k s ASN 12 Ca 0.02 -0.99 -0.17 0.00 0.42 0.00 0.00 52.86 52.14 1k5k s ASN 12 Cb -0.13 1.53 0.03 0.00 -1.45 0.00 0.00 41.25 41.24 1k5k s ASN 12 CO -0.05 -0.09 0.44 -2.28 -3.72 0.00 0.00 177.10 171.41 1k5k s HIS 13 N 1.39 3.17 0.13 0.43 5.65 -1.26 -4.77 115.29 120.03 1k5k s HIS 13 Ca 0.22 -0.51 -0.26 0.00 0.25 0.00 0.00 55.06 54.76 1k5k s HIS 13 Cb 0.01 -3.00 -0.04 0.00 -1.18 0.00 0.00 32.58 28.36 1k5k s HIS 13 CO -0.08 -0.75 1.63 -1.35 -0.65 0.00 0.00 174.74 173.54 1k5k h PRO 14 N 8.76 -0.38 0.00 2.88 0.11 -1.86 -3.48 132.00 138.04 1k5k h PRO 14 Ca -0.27 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1k5k h PRO 14 Cb 1.11 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1k5k h PRO 14 CO 0.83 -0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 1k5k n GLY 15 N -1.38 1.36 0.00 -0.55 0.00 -1.22 -4.13 105.19 99.26 1k5k n GLY 15 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1k5k n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k5k n SER 16 N 0.00 0.00 -4.67 1.61 3.41 -0.45 -4.07 113.62 109.45 1k5k n SER 16 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1k5k n SER 16 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1k5k n SER 16 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1k5k s GLN 17 N 1.61 2.24 -0.22 4.33 -1.52 -1.25 -3.28 119.66 121.58 1k5k s GLN 17 Ca 0.00 -1.59 -0.29 0.00 -1.95 0.00 0.00 55.36 51.53 1k5k s GLN 17 Cb 0.00 -2.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 1k5k s GLN 17 CO 0.00 0.18 1.06 -1.25 -0.25 0.00 0.00 175.29 175.03 1k5k s PRO 18 N -3.75 4.27 0.00 2.91 0.04 -1.26 -4.33 135.00 132.87 1k5k s PRO 18 Ca 0.35 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1k5k s PRO 18 Cb -0.03 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1k5k s PRO 18 CO 0.21 -0.62 0.00 -2.13 0.04 0.00 0.00 177.00 174.50 1k5k n ARG 19 N 6.25 -0.54 -0.07 4.56 0.63 -1.26 -4.89 116.66 121.35 1k5k n ARG 19 Ca 0.12 -0.24 -0.05 0.00 -0.92 0.00 0.00 57.85 56.76 1k5k n ARG 19 Cb 0.46 0.43 -0.02 0.00 0.45 0.00 0.00 32.46 33.78 1k5k n ARG 19 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1k5k n THR 20 N -0.48 1.42 0.26 5.15 -1.04 -1.20 -3.08 114.28 115.32 1k5k n THR 20 Ca 0.00 0.21 0.12 0.00 -2.04 0.00 0.00 64.05 62.33 1k5k n THR 20 Cb 0.00 -2.38 0.03 0.00 -1.82 0.00 0.00 70.33 66.17 1k5k n THR 20 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1k5k n PRO 21 N -4.61 0.50 0.07 -2.82 -0.04 -1.25 -4.28 135.00 122.57 1k5k n PRO 21 Ca -0.08 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1k5k n PRO 21 Cb 0.29 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 1k5k n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k5k n ASN 23 N -5.12 -7.19 -0.51 0.00 3.02 -1.26 -4.02 115.26 100.17 1k5k n ASN 23 Ca -0.08 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1k5k n ASN 23 Cb 0.07 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1k5k n ASN 23 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1k5k n LYS 24 N -3.75 0.76 -3.64 3.52 4.81 -1.26 -4.89 118.16 113.71 1k5k n LYS 24 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.36 1k5k n LYS 24 Cb 0.55 -1.37 -0.07 0.00 0.02 0.00 0.00 35.03 34.16 1k5k n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k5k n TYR 26 N 2.21 1.87 0.00 0.00 4.01 -1.26 -4.38 117.16 119.61 1k5k n TYR 26 Ca -0.12 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1k5k n TYR 26 Cb 0.56 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 1k5k n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k5k n LYS 28 N 0.00 -3.29 -2.29 0.00 0.00 -1.26 -2.85 118.16 108.47 1k5k n LYS 28 Ca 0.00 2.62 -0.40 0.00 0.00 0.00 0.00 58.31 60.53 1k5k n LYS 28 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 35.03 31.09 1k5k n LYS 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1k5k s LYS 29 N -0.80 4.32 0.00 1.64 2.36 -1.26 -3.77 119.74 122.24 1k5k s LYS 29 Ca -0.14 1.96 0.00 0.00 -2.55 0.00 0.00 55.97 55.24 1k5k s LYS 29 Cb 0.01 -2.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.84 1k5k s LYS 29 CO 0.56 -0.12 0.00 0.00 1.55 0.00 0.00 175.35 177.34 1k5k s TYR 32 N -2.57 2.75 -0.27 0.00 6.14 -1.26 -4.95 117.35 117.19 1k5k s TYR 32 Ca 0.00 0.93 -0.03 0.00 0.64 0.00 0.00 57.07 58.61 1k5k s TYR 32 Cb 0.00 -3.71 0.16 0.00 0.42 0.00 0.00 41.96 38.83 1k5k s TYR 32 CO 0.00 -1.74 0.50 -1.58 0.64 0.00 0.00 175.55 173.37 1k5k s HIS 33 N 3.97 -1.22 -0.21 4.97 2.46 -1.26 -4.42 115.29 119.59 1k5k s HIS 33 Ca 0.56 1.40 -0.29 0.00 0.47 0.00 0.00 55.06 57.21 1k5k s HIS 33 Cb -0.19 0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.57 1k5k s HIS 33 CO 0.19 -0.77 1.87 0.00 -2.47 0.00 0.00 174.74 173.56 1k5k n GLN 35 N 8.11 0.00 -1.55 0.00 -0.06 -1.26 -4.39 117.38 118.23 1k5k n GLN 35 Ca 0.23 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.80 1k5k n GLN 35 Cb 0.45 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.59 1k5k n GLN 35 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1k5k n MET 36 N 0.00 1.52 0.00 3.69 0.00 -1.01 -4.96 117.12 116.35 1k5k n MET 36 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 57.70 58.05 1k5k n MET 36 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 33.22 30.14 1k5k n MET 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k5k s PHE 38 N -0.04 0.01 -0.46 0.00 0.08 -1.26 -4.90 117.98 111.40 1k5k s PHE 38 Ca 0.00 -0.80 -0.19 0.00 0.12 0.00 0.00 56.93 56.06 1k5k s PHE 38 Cb 0.00 -0.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1k5k s PHE 38 CO 0.00 -0.89 0.59 0.96 -0.10 0.00 0.00 175.22 175.78 1k5k s ILE 39 N 1.81 4.90 -1.07 0.64 -5.25 -1.26 -5.00 121.20 115.97 1k5k s ILE 39 Ca 0.13 -0.24 -0.22 0.00 -0.99 0.00 0.00 60.65 59.33 1k5k s ILE 39 Cb -0.17 -4.21 0.01 0.00 2.95 0.00 0.00 42.46 41.04 1k5k s ILE 39 CO -0.20 -0.65 1.71 0.42 -1.79 0.00 0.00 174.94 174.43 1k5k s THR 40 N 2.61 3.78 -0.68 8.37 -4.23 -1.26 -4.90 115.64 119.33 1k5k s THR 40 Ca 0.17 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1k5k s THR 40 Cb -0.17 -4.74 0.17 0.00 1.34 0.00 0.00 72.50 69.11 1k5k s THR 40 CO 0.15 -1.55 0.50 -1.59 -0.54 0.00 0.00 174.62 171.59 1k5k s LYS 41 N 5.59 2.65 0.00 3.99 0.00 -1.26 -4.81 119.74 125.89 1k5k s LYS 41 Ca 0.57 -2.79 0.00 0.00 0.00 0.00 0.00 55.97 53.75 1k5k s LYS 41 Cb -0.01 -3.71 0.00 0.00 0.00 0.00 0.00 37.83 34.11 1k5k s LYS 41 CO -0.00 -1.20 0.00 0.41 0.00 0.00 0.00 175.35 174.56 1k5k n GLY 42 N 3.04 -0.05 2.28 0.59 0.00 -1.26 -5.06 105.19 104.73 1k5k n GLY 42 Ca 0.12 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1k5k n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5k n LEU 43 N 0.00 8.39 0.00 0.99 4.77 -1.26 -4.63 117.00 125.26 1k5k n LEU 43 Ca 0.00 -4.25 0.00 0.00 -0.03 0.00 0.00 56.01 51.73 1k5k n LEU 43 Cb 0.00 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1k5k n LEU 43 CO 0.00 2.04 0.04 0.61 -1.33 0.00 0.00 177.39 178.75 1k5k n GLY 44 N 3.42 0.69 1.35 -0.72 0.00 -1.16 -4.90 105.19 103.88 1k5k n GLY 44 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1k5k n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k5k n ILE 45 N -0.33 0.67 0.13 -0.61 5.41 -1.26 -4.47 119.36 118.90 1k5k n ILE 45 Ca 0.00 0.22 -0.13 0.00 1.00 0.00 0.00 62.75 63.84 1k5k n ILE 45 Cb 0.00 -1.12 -0.06 0.00 -0.71 0.00 0.00 39.64 37.74 1k5k n ILE 45 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1k5k h SER 46 N 0.00 -0.88 -2.53 4.38 4.64 -1.93 -1.71 113.55 115.52 1k5k h SER 46 Ca 0.00 0.10 -0.55 0.00 -0.47 0.00 0.00 61.79 60.87 1k5k h SER 46 Cb 0.00 0.33 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1k5k h SER 46 CO 0.00 -0.41 1.16 -0.31 -0.87 0.00 0.00 176.83 176.41 1k5k s TYR 47 N -6.02 1.77 -0.30 4.77 2.02 -1.26 -4.48 117.35 113.85 1k5k s TYR 47 Ca -0.16 0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 1k5k s TYR 47 Cb 0.08 -4.01 0.21 0.00 -0.40 0.00 0.00 41.96 37.84 1k5k s TYR 47 CO 0.64 -4.10 1.26 0.20 -1.57 0.00 0.00 175.55 171.98 1k5k s GLY 48 N 4.19 0.61 0.00 0.71 0.00 -1.22 -2.97 107.32 108.64 1k5k s GLY 48 Ca 0.79 3.83 0.00 0.00 0.00 0.00 0.00 44.72 49.34 1k5k s GLY 48 CO 0.33 2.80 0.34 -2.13 0.00 0.00 0.00 173.10 174.44 1k5k n ARG 49 N 3.17 0.00 -2.53 2.90 0.63 -1.26 -4.23 116.66 115.35 1k5k n ARG 49 Ca -0.17 0.41 -0.40 0.00 -0.92 0.00 0.00 57.85 56.77 1k5k n ARG 49 Cb 0.56 -1.09 0.02 0.00 0.45 0.00 0.00 32.46 32.40 1k5k n ARG 49 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1k5k n LYS 50 N -1.72 4.81 0.00 -0.14 4.81 -1.26 -4.87 118.16 119.80 1k5k n LYS 50 Ca 0.00 -4.47 0.00 0.00 -0.87 0.00 0.00 58.31 52.97 1k5k n LYS 50 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 32.63 1k5k n LYS 50 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1k5k n LYS 51 N -0.16 0.00 -2.10 1.64 5.02 -1.26 -5.17 118.16 116.13 1k5k n LYS 51 Ca 0.47 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1k5k n LYS 51 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1k5k n LYS 51 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1k5k n ARG 52 N 0.00 -1.57 -1.06 1.97 0.63 -0.64 -5.00 116.66 110.99 1k5k n ARG 52 Ca 0.00 1.54 0.00 0.00 -0.92 0.00 0.00 57.85 58.47 1k5k n ARG 52 Cb 0.00 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 29.71 1k5k n ARG 52 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1k5k n ARG 53 N 0.18 1.89 -3.15 -0.14 0.63 -1.26 -4.97 116.66 109.84 1k5k n ARG 53 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.99 1k5k n ARG 53 Cb 0.05 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.94 1k5k n ARG 53 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1k5k s GLN 54 N -0.59 0.22 -0.05 -0.14 0.74 -1.26 -4.53 119.66 114.05 1k5k s GLN 54 Ca 0.00 0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.79 1k5k s GLN 54 Cb 0.00 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.31 1k5k s GLN 54 CO 0.00 -0.28 -0.13 0.50 -0.55 0.00 0.00 175.29 174.83 1k5k s ARG 55 N 2.94 1.62 -0.19 1.67 3.52 -1.26 -5.12 118.95 122.13 1k5k s ARG 55 Ca 0.06 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1k5k s ARG 55 Cb -0.09 -1.38 0.05 0.00 -1.56 0.00 0.00 34.95 31.97 1k5k s ARG 55 CO -0.14 0.11 -0.07 0.50 -0.81 0.00 0.00 175.30 174.89 1k5k s ARG 56 N 0.39 1.64 0.07 5.12 3.00 -1.26 -4.55 118.95 123.35 1k5k s ARG 56 Ca -0.09 -0.70 0.00 0.00 -1.00 0.00 0.00 55.73 53.94 1k5k s ARG 56 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 34.95 32.57 1k5k s ARG 56 CO 0.03 -0.46 0.00 -2.13 0.00 0.00 0.00 175.30 172.73 1k5k n ARG 57 N 4.78 0.00 -1.12 5.12 0.00 -1.26 -4.95 116.66 119.23 1k5k n ARG 57 Ca -0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.42 1k5k n ARG 57 Cb 0.47 -0.29 0.24 0.00 0.00 0.00 0.00 32.46 32.88 1k5k n ARG 57 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1k5k s PRO 58 N -1.61 -1.33 0.05 -0.14 0.04 -1.26 -5.06 135.00 125.69 1k5k s PRO 58 Ca 0.00 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.76 1k5k s PRO 58 Cb 0.00 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 1k5k s PRO 58 CO 0.00 -3.77 1.20 -1.35 0.04 0.00 0.00 177.00 173.12 1k5k h PRO 59 N -2.62 -0.07 -2.26 0.56 0.11 -1.92 -3.42 132.00 122.37 1k5k h PRO 59 Ca -0.43 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1k5k h PRO 59 Cb 1.28 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.22 1k5k h PRO 59 CO 0.31 -0.05 0.10 -1.14 -0.21 0.00 0.00 178.00 177.02 1k5k s GLN 60 N -3.93 1.00 0.00 1.05 2.00 -1.18 -3.86 119.66 114.75 1k5k s GLN 60 Ca -0.05 0.12 0.00 0.00 -2.00 0.00 0.00 55.36 53.44 1k5k s GLN 60 Cb 0.03 0.47 0.00 0.00 0.80 0.00 0.00 33.01 34.31 1k5k s GLN 60 CO 0.22 -0.32 0.39 0.41 -0.50 0.00 0.00 175.29 175.49 1k5k n GLY 61 N 0.88 -1.13 0.16 2.59 0.00 -1.26 -3.49 105.19 102.94 1k5k n GLY 61 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1k5k n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1k5k h ASN 62 N 0.00 -0.27 0.00 1.61 4.21 -1.96 0.12 115.58 119.29 1k5k h ASN 62 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1k5k h ASN 62 Cb 0.00 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1k5k h ASN 62 CO 0.00 -0.16 0.04 1.67 -1.29 0.00 0.00 177.43 177.68 1k5k n GLN 63 N -5.21 0.00 -0.06 0.81 7.27 -1.26 -0.70 117.38 118.22 1k5k n GLN 63 Ca -0.09 0.29 -0.15 0.00 0.07 0.00 0.00 57.00 57.12 1k5k n GLN 63 Cb 0.16 -1.54 -0.14 0.00 2.41 0.00 0.00 30.24 31.13 1k5k n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k5k n ALA 64 N -1.27 1.32 -0.03 1.69 0.00 -0.52 -4.51 120.51 117.19 1k5k n ALA 64 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 53.44 52.50 1k5k n ALA 64 Cb 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 1k5k n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k5k h HIS 65 N 0.02 0.00 -3.21 0.00 3.86 -0.02 -3.38 115.15 112.42 1k5k h HIS 65 Ca -0.46 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.18 1k5k h HIS 65 Cb 2.05 0.00 0.12 0.00 1.06 0.00 0.00 27.41 30.64 1k5k h HIS 65 CO 0.03 0.00 0.37 0.94 0.86 0.00 0.00 177.93 180.12 1k5k n GLN 66 N -3.32 1.77 -0.10 2.45 7.27 0.12 -4.77 117.38 120.80 1k5k n GLN 66 Ca -0.01 0.63 -0.17 0.00 0.07 0.00 0.00 57.00 57.52 1k5k n GLN 66 Cb 0.04 -2.21 -0.07 0.00 2.41 0.00 0.00 30.24 30.42 1k5k n GLN 66 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1k5k n ASP 67 N 0.59 1.89 0.00 1.69 2.03 -1.26 -4.79 116.55 116.70 1k5k n ASP 67 Ca 0.07 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1k5k n ASP 67 Cb 0.37 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1k5k n ASP 67 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1k5k n PRO 68 N -4.44 0.00 0.10 -0.67 -0.04 -1.26 -4.61 135.00 124.09 1k5k n PRO 68 Ca -0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1k5k n PRO 68 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1k5k n PRO 68 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k5k n LEU 69 N 0.00 -0.10 -4.87 1.53 4.77 -1.26 -4.88 117.00 112.19 1k5k n LEU 69 Ca 0.00 0.35 -0.30 0.00 -0.03 0.00 0.00 56.01 56.03 1k5k n LEU 69 Cb 0.00 0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1k5k n LEU 69 CO 0.00 -0.71 0.64 -2.16 -1.33 0.00 0.00 177.39 173.84 1k5k s PRO 70 N -2.00 3.65 -0.55 3.23 0.04 -1.26 -4.42 135.00 133.70 1k5k s PRO 70 Ca 0.00 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 1k5k s PRO 70 Cb 0.00 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1k5k s PRO 70 CO 0.00 -0.42 1.74 -0.85 0.04 0.00 0.00 177.00 177.51 1k5k n GLU 71 N -2.39 1.18 -3.40 4.56 0.00 -1.26 -4.15 120.64 115.17 1k5k n GLU 71 Ca 0.05 -1.28 -0.26 0.00 0.00 0.00 0.00 57.16 55.67 1k5k n GLU 71 Cb 0.54 -2.48 -0.10 0.00 0.00 0.00 0.00 31.44 29.40 1k5k n GLU 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1k5k s GLN 72 N 4.67 0.68 -0.53 3.44 -0.21 -1.26 -5.03 119.66 121.43 1k5k s GLN 72 Ca 0.39 -1.46 -0.28 0.00 0.02 0.00 0.00 55.36 54.03 1k5k s GLN 72 Cb 0.10 -1.19 -0.00 0.00 1.00 0.00 0.00 33.01 32.91 1k5k s GLN 72 CO 0.07 -1.26 1.63 -1.25 -2.12 0.00 0.00 175.29 172.35 1k5k s PRO 73 N 0.84 3.11 0.00 2.91 0.04 -1.26 -3.48 135.00 137.16 1k5k s PRO 73 Ca 0.22 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1k5k s PRO 73 Cb -0.13 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1k5k s PRO 73 CO -0.06 -2.16 0.00 0.45 0.04 0.00 0.00 177.00 175.28 1k5k n SER 74 N 10.68 0.00 -3.91 6.66 2.88 -1.26 -4.84 113.62 123.83 1k5k n SER 74 Ca 0.17 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1k5k n SER 74 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1k5k n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k5k s SER 75 N 1.96 0.17 -0.40 -3.46 1.04 -1.26 -3.24 113.70 108.52 1k5k s SER 75 Ca 0.00 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 1k5k s SER 75 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1k5k s SER 75 CO 0.00 -0.73 0.51 1.67 0.98 0.00 0.00 173.24 175.66 1k5k n GLN 76 N -0.06 -1.80 -3.55 4.02 7.27 -1.26 -4.33 117.38 117.67 1k5k n GLN 76 Ca -0.14 1.74 -0.22 0.00 0.07 0.00 0.00 57.00 58.46 1k5k n GLN 76 Cb 0.62 -4.94 0.08 0.00 2.41 0.00 0.00 30.24 28.42 1k5k n GLN 76 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1k5k n HIS 77 N -0.57 -2.62 0.00 3.69 -0.00 -1.26 -4.95 115.22 109.52 1k5k n HIS 77 Ca 0.08 0.99 0.00 0.00 -0.00 0.00 0.00 57.72 58.79 1k5k n HIS 77 Cb 0.40 -5.03 0.00 0.00 -0.00 0.00 0.00 29.99 25.36 1k5k n HIS 77 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1k5k n ARG 78 N -4.68 0.00 -2.84 1.57 5.12 -1.26 -4.70 116.66 109.87 1k5k n ARG 78 Ca -0.10 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.68 1k5k n ARG 78 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1k5k n ARG 78 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k5k n GLY 79 N 1.70 2.69 0.34 -0.13 0.00 -1.20 -4.11 105.19 104.48 1k5k n GLY 79 Ca 0.00 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1k5k n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1k5k h ASP 80 N 2.97 0.00 0.00 1.61 3.04 -1.83 -3.39 116.42 118.81 1k5k h ASP 80 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1k5k h ASP 80 Cb 1.06 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 1k5k h ASP 80 CO 0.54 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.74 1k5k n HIS 81 N -3.45 0.00 -2.06 4.15 1.44 -1.26 -4.96 115.22 109.07 1k5k n HIS 81 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1k5k n HIS 81 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1k5k n HIS 81 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1k5k n PRO 82 N -0.32 2.17 -3.03 -1.40 -0.05 -1.26 -2.40 135.00 128.71 1k5k n PRO 82 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 63.50 63.00 1k5k n PRO 82 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.43 1k5k n PRO 82 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1k5k s THR 83 N 1.44 5.02 0.00 0.52 2.01 -1.26 -4.86 115.64 118.51 1k5k s THR 83 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1k5k s THR 83 Cb 0.00 -4.73 0.00 0.00 0.01 0.00 0.00 72.50 67.78 1k5k s THR 83 CO 0.00 -1.41 0.00 0.61 -0.69 0.00 0.00 174.62 173.13 1k5k n GLY 84 N 4.83 -1.47 0.10 4.40 0.00 -1.26 -5.03 105.19 106.76 1k5k n GLY 84 Ca 0.24 0.89 -0.12 0.00 0.00 0.00 0.00 46.02 47.03 1k5k n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k5k h PRO 85 N 0.00 0.20 -2.76 1.61 0.13 -1.87 -3.40 132.00 125.92 1k5k h PRO 85 Ca 0.00 -0.07 -0.60 0.00 -0.87 0.00 0.00 66.00 64.46 1k5k h PRO 85 Cb 0.00 -0.01 -0.39 0.00 0.13 0.00 0.00 31.00 30.72 1k5k h PRO 85 CO 0.00 0.50 -0.80 0.21 -0.23 0.00 0.00 178.00 177.67 1k5k s LYS 86 N -4.79 0.94 0.00 0.86 2.20 -1.26 -4.03 119.74 113.66 1k5k s LYS 86 Ca -0.14 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 53.73 1k5k s LYS 86 Cb 0.05 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1k5k s LYS 86 CO 0.71 -1.20 0.00 -1.91 -0.36 0.00 0.00 175.35 172.58