#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 0.36 0.49 7.83 1.82 -1.95 -3.34 116.42 121.63 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 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.92 1k5k h ASP 2 CO 0.00 0.26 0.00 -0.81 -1.61 0.00 0.00 179.24 177.08 1k5k n PRO 3 N -4.49 0.06 0.00 0.28 -0.04 -1.26 -4.62 135.00 124.93 1k5k n PRO 3 Ca 0.02 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1k5k n PRO 3 Cb 0.08 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.45 0.00 0.00 0.52 0.31 -1.25 -5.09 118.33 111.37 1k5k n VAL 4 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1k5k n VAL 4 Cb 0.17 -0.21 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 0.19 -4.47 4.52 5.75 -1.26 -5.06 116.55 116.21 1k5k n ASP 5 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1k5k n ASP 5 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.58 2.19 0.00 0.11 0.04 -1.26 -4.62 135.00 129.89 1k5k s PRO 6 Ca 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1k5k s PRO 6 Cb 0.00 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1k5k s PRO 6 CO 0.00 0.56 0.04 0.09 0.04 0.00 0.00 177.00 177.73 1k5k n ASN 7 N 1.68 0.00 -3.85 6.66 3.02 -1.26 -4.35 115.26 117.16 1k5k n ASN 7 Ca -0.16 0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.13 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 -0.33 2.09 0.20 3.41 1.43 -1.26 -4.78 118.68 119.43 1k5k s LEU 8 Ca 0.00 -1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 51.94 1k5k s LEU 8 Cb 0.00 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1k5k s LEU 8 CO 0.00 -0.28 0.45 -0.70 0.23 0.00 0.00 176.35 176.05 1k5k s GLU 9 N 1.57 3.63 0.27 1.70 2.12 -1.26 -5.04 118.70 121.69 1k5k s GLU 9 Ca -0.02 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.28 1k5k s GLU 9 Cb -0.18 -2.77 0.68 0.00 0.26 0.00 0.00 34.13 32.13 1k5k s GLU 9 CO -0.09 0.37 1.32 -2.30 -0.54 0.00 0.00 175.26 174.02 1k5k n PRO 10 N -0.34 -0.07 -3.65 4.30 -0.02 -1.26 -3.74 135.00 130.22 1k5k n PRO 10 Ca -0.02 1.25 -0.16 0.00 -2.02 0.00 0.00 63.50 62.54 1k5k n PRO 10 Cb 0.53 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.85 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 -5.75 -0.22 -0.34 6.00 -0.00 -1.26 -4.66 118.94 112.72 1k5k s TRP 11 Ca -0.11 0.63 0.07 0.00 -0.00 0.00 0.00 56.10 56.69 1k5k s TRP 11 Cb 0.25 -0.24 0.19 0.00 -0.00 0.00 0.00 33.47 33.67 1k5k s TRP 11 CO 0.66 -0.31 0.61 1.21 -0.00 0.00 0.00 176.95 179.11 1k5k s ASN 12 N 2.31 -1.60 -0.31 5.86 2.47 -1.25 -4.93 114.94 117.49 1k5k s ASN 12 Ca 0.03 -0.19 -0.06 0.00 0.42 0.00 0.00 52.86 53.06 1k5k s ASN 12 Cb -0.12 2.01 0.03 0.00 -1.45 0.00 0.00 41.25 41.71 1k5k s ASN 12 CO -0.07 -0.25 0.08 -2.28 -3.72 0.00 0.00 177.10 170.87 1k5k s HIS 13 N 2.45 3.20 0.03 0.43 5.65 -1.26 -4.73 115.29 121.06 1k5k s HIS 13 Ca 0.12 -1.24 -0.25 0.00 0.25 0.00 0.00 55.06 53.95 1k5k s HIS 13 Cb -0.08 -2.25 -0.17 0.00 -1.18 0.00 0.00 32.58 28.89 1k5k s HIS 13 CO -0.19 -0.66 1.48 -1.35 -0.65 0.00 0.00 174.74 173.37 1k5k h PRO 14 N 8.21 -0.10 0.00 2.88 0.11 -1.88 -3.48 132.00 137.75 1k5k h PRO 14 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1k5k h PRO 14 Cb 1.10 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1k5k h PRO 14 CO 0.60 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1k5k n GLY 15 N -0.50 2.00 0.00 -0.55 0.00 -1.21 -4.16 105.19 100.76 1k5k n GLY 15 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.78 1.61 3.41 -0.86 -3.95 113.62 109.04 1k5k n SER 16 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1k5k n SER 16 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 2.31 2.68 -0.35 4.33 -1.52 -1.25 -3.31 119.66 122.55 1k5k s GLN 17 Ca 0.00 -1.24 -0.25 0.00 -1.95 0.00 0.00 55.36 51.92 1k5k s GLN 17 Cb 0.00 -2.41 0.01 0.00 -0.22 0.00 0.00 33.01 30.39 1k5k s GLN 17 CO 0.00 0.29 0.88 -1.25 -0.25 0.00 0.00 175.29 174.96 1k5k s PRO 18 N -3.84 3.85 -0.64 2.91 0.04 -1.26 -4.34 135.00 131.72 1k5k s PRO 18 Ca 0.35 0.55 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1k5k s PRO 18 Cb -0.06 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1k5k s PRO 18 CO 0.24 -0.88 0.12 -2.13 0.04 0.00 0.00 177.00 174.39 1k5k n ARG 19 N 6.61 -0.85 -0.10 4.56 0.63 -1.26 -4.90 116.66 121.34 1k5k n ARG 19 Ca 0.06 -0.08 -0.17 0.00 -0.92 0.00 0.00 57.85 56.74 1k5k n ARG 19 Cb 0.48 -1.21 -0.06 0.00 0.45 0.00 0.00 32.46 32.12 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 -2.70 1.50 0.11 5.15 -1.04 -1.21 -3.18 114.28 112.91 1k5k n THR 20 Ca -0.11 -0.03 0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1k5k n THR 20 Cb 0.29 -2.16 0.01 0.00 -1.82 0.00 0.00 70.33 66.64 1k5k n THR 20 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1k5k h PRO 21 N -1.00 0.00 -0.10 -2.82 0.13 -1.78 -3.39 132.00 123.04 1k5k h PRO 21 Ca -0.27 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1k5k h PRO 21 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1k5k h PRO 21 CO -0.17 0.14 -0.19 0.00 -0.23 0.00 0.00 178.00 177.56 1k5k n ASN 23 N -5.33 -5.39 -0.29 0.00 3.02 -1.26 -4.09 115.26 101.92 1k5k n ASN 23 Ca -0.03 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1k5k n ASN 23 Cb 0.24 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 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 -3.49 0.59 -3.58 3.52 4.81 -1.26 -4.89 118.16 113.86 1k5k n LYS 24 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 1k5k n LYS 24 Cb 0.42 -1.17 -0.06 0.00 0.02 0.00 0.00 35.03 34.23 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 1.35 2.64 0.00 0.00 4.01 -1.26 -4.35 117.16 119.55 1k5k n TYR 26 Ca -0.14 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1k5k n TYR 26 Cb 0.57 -2.48 0.00 0.00 -0.31 0.00 0.00 39.34 37.11 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 -2.12 -2.33 0.00 0.00 -1.26 -2.52 118.16 109.93 1k5k n LYS 28 Ca 0.00 1.82 -0.40 0.00 0.00 0.00 0.00 58.31 59.73 1k5k n LYS 28 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 35.03 32.87 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 -0.36 4.52 0.00 1.64 2.36 -1.26 -3.85 119.74 122.79 1k5k s LYS 29 Ca -0.07 1.96 0.00 0.00 -2.55 0.00 0.00 55.97 55.31 1k5k s LYS 29 Cb 0.00 -3.15 0.00 0.00 -1.05 0.00 0.00 37.83 33.64 1k5k s LYS 29 CO 0.24 0.04 0.00 0.00 1.55 0.00 0.00 175.35 177.18 1k5k s TYR 32 N -2.50 3.03 -0.29 0.00 6.14 -1.26 -4.95 117.35 117.52 1k5k s TYR 32 Ca 0.00 1.17 -0.03 0.00 0.64 0.00 0.00 57.07 58.85 1k5k s TYR 32 Cb 0.00 -3.42 0.17 0.00 0.42 0.00 0.00 41.96 39.13 1k5k s TYR 32 CO 0.00 -1.29 0.57 -1.58 0.64 0.00 0.00 175.55 173.90 1k5k s HIS 33 N 3.29 -1.45 -0.11 4.97 2.46 -1.26 -4.41 115.29 118.78 1k5k s HIS 33 Ca 0.52 1.69 -0.29 0.00 0.47 0.00 0.00 55.06 57.44 1k5k s HIS 33 Cb -0.20 0.53 -0.06 0.00 -0.13 0.00 0.00 32.58 32.72 1k5k s HIS 33 CO 0.13 -0.82 1.84 0.00 -2.47 0.00 0.00 174.74 173.42 1k5k n GLN 35 N 7.72 0.00 -1.84 0.00 -0.06 -1.26 -4.40 117.38 117.54 1k5k n GLN 35 Ca 0.21 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.80 1k5k n GLN 35 Cb 0.43 0.00 -0.03 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 s MET 36 N 0.00 2.86 0.00 3.69 0.23 -1.07 -4.96 119.30 120.06 1k5k s MET 36 Ca 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 55.69 56.01 1k5k s MET 36 Cb 0.00 -4.36 0.00 0.00 -1.53 0.00 0.00 34.83 28.94 1k5k s MET 36 CO 0.00 -2.41 0.08 0.00 -2.03 0.00 0.00 175.02 170.65 1k5k s PHE 38 N -0.16 -0.36 -0.43 0.00 0.08 -1.26 -4.90 117.98 110.95 1k5k s PHE 38 Ca 0.00 -0.64 -0.24 0.00 0.12 0.00 0.00 56.93 56.16 1k5k s PHE 38 Cb 0.00 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.06 1k5k s PHE 38 CO 0.00 -0.96 0.86 0.96 -0.10 0.00 0.00 175.22 175.98 1k5k s ILE 39 N 1.67 4.58 -1.05 0.64 -5.25 -1.26 -5.01 121.20 115.53 1k5k s ILE 39 Ca 0.15 0.73 -0.19 0.00 -0.99 0.00 0.00 60.65 60.35 1k5k s ILE 39 Cb -0.15 -4.35 0.11 0.00 2.95 0.00 0.00 42.46 41.02 1k5k s ILE 39 CO -0.11 -0.69 1.35 0.42 -1.79 0.00 0.00 174.94 174.12 1k5k s THR 40 N 3.47 4.46 -0.71 8.37 -4.23 -1.26 -4.91 115.64 120.84 1k5k s THR 40 Ca 0.34 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1k5k s THR 40 Cb -0.11 -4.93 0.18 0.00 1.34 0.00 0.00 72.50 68.97 1k5k s THR 40 CO 0.23 -1.72 0.54 -1.59 -0.54 0.00 0.00 174.62 171.54 1k5k s LYS 41 N 3.37 2.75 0.00 3.99 0.00 -1.26 -4.82 119.74 123.77 1k5k s LYS 41 Ca 0.41 -2.83 0.00 0.00 0.00 0.00 0.00 55.97 53.54 1k5k s LYS 41 Cb -0.02 -3.76 0.00 0.00 0.00 0.00 0.00 37.83 34.05 1k5k s LYS 41 CO -0.06 -1.21 0.00 0.41 0.00 0.00 0.00 175.35 174.49 1k5k n GLY 42 N 2.99 0.55 2.52 0.59 0.00 -1.26 -5.07 105.19 105.51 1k5k n GLY 42 Ca 0.13 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 7.84 0.00 0.99 4.77 -1.26 -4.56 117.00 124.78 1k5k n LEU 43 Ca 0.00 -4.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 1k5k n LEU 43 Cb 0.00 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 1k5k n LEU 43 CO 0.00 1.60 0.00 0.61 -1.33 0.00 0.00 177.39 178.27 1k5k n GLY 44 N 3.82 1.03 1.29 -0.72 0.00 -1.16 -4.92 105.19 104.54 1k5k n GLY 44 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.92 0.00 -0.09 -0.61 5.41 -1.26 -4.49 119.36 117.40 1k5k n ILE 45 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1k5k n ILE 45 Cb 0.00 -0.56 -0.04 0.00 -0.71 0.00 0.00 39.64 38.33 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 -1.32 -2.57 4.38 4.64 -1.93 -1.48 113.55 115.27 1k5k h SER 46 Ca 0.00 0.20 -0.56 0.00 -0.47 0.00 0.00 61.79 60.96 1k5k h SER 46 Cb 0.00 0.57 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1k5k h SER 46 CO 0.00 -0.37 1.16 -0.31 -0.87 0.00 0.00 176.83 176.44 1k5k s TYR 47 N -5.89 1.85 -0.29 4.77 2.02 -1.26 -4.47 117.35 114.06 1k5k s TYR 47 Ca -0.15 0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 56.67 1k5k s TYR 47 Cb 0.11 -3.99 0.15 0.00 -0.40 0.00 0.00 41.96 37.83 1k5k s TYR 47 CO 0.65 -3.77 0.95 0.20 -1.57 0.00 0.00 175.55 172.02 1k5k s GLY 48 N 4.33 -0.11 0.01 0.71 0.00 -1.18 -2.96 107.32 108.11 1k5k s GLY 48 Ca 0.77 3.04 -0.04 0.00 0.00 0.00 0.00 44.72 48.50 1k5k s GLY 48 CO 0.32 2.75 0.96 -0.09 0.00 0.00 0.00 173.10 177.04 1k5k h ARG 49 N 6.54 -0.14 -2.38 2.90 2.43 -1.95 -3.36 114.38 118.41 1k5k h ARG 49 Ca -0.25 0.01 -0.75 0.00 -0.81 0.00 0.00 59.98 58.18 1k5k h ARG 49 Cb 1.17 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 30.44 1k5k h ARG 49 CO 0.16 -0.10 0.52 1.17 -1.51 0.00 0.00 179.97 180.22 1k5k n LYS 50 N -2.43 4.60 0.00 0.20 4.81 -1.26 -4.90 118.16 119.17 1k5k n LYS 50 Ca -0.02 -4.69 0.00 0.00 -0.87 0.00 0.00 58.31 52.73 1k5k n LYS 50 Cb 0.06 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 0.24 0.00 -1.72 1.64 5.02 -1.26 -5.16 118.16 116.91 1k5k n LYS 51 Ca 0.38 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.66 1k5k n LYS 51 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 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 -0.41 -0.33 1.97 0.63 -0.56 -4.98 116.66 112.97 1k5k n ARG 52 Ca 0.00 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1k5k n ARG 52 Cb 0.00 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.75 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 -0.42 3.14 -3.24 -0.14 0.63 -1.26 -4.95 116.66 110.43 1k5k n ARG 53 Ca 0.02 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 1k5k n ARG 53 Cb 0.07 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.96 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 0.51 0.36 -0.06 -0.14 0.74 -1.26 -4.52 119.66 115.29 1k5k s GLN 54 Ca 0.00 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.14 1k5k s GLN 54 Cb 0.00 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.53 1k5k s GLN 54 CO 0.00 -0.32 -0.12 0.50 -0.55 0.00 0.00 175.29 174.80 1k5k s ARG 55 N 2.82 1.62 -0.18 1.67 3.52 -1.26 -5.13 118.95 122.00 1k5k s ARG 55 Ca 0.05 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1k5k s ARG 55 Cb -0.11 -1.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 1k5k s ARG 55 CO -0.16 0.05 -0.17 0.50 -0.81 0.00 0.00 175.30 174.72 1k5k s ARG 56 N 0.57 3.08 0.12 5.12 3.00 -1.26 -4.56 118.95 125.03 1k5k s ARG 56 Ca -0.13 -0.78 0.00 0.00 -1.00 0.00 0.00 55.73 53.82 1k5k s ARG 56 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 34.95 32.15 1k5k s ARG 56 CO 0.03 -0.18 0.00 -2.13 0.00 0.00 0.00 175.30 173.02 1k5k n ARG 57 N 4.60 0.00 -1.98 5.12 0.00 -1.26 -4.91 116.66 118.22 1k5k n ARG 57 Ca -0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.35 1k5k n ARG 57 Cb 0.50 -0.28 0.20 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 -2.00 0.42 0.10 -0.14 0.04 -1.26 -5.05 135.00 127.10 1k5k s PRO 58 Ca 0.00 -0.58 -0.31 0.00 0.04 0.00 0.00 61.00 60.15 1k5k s PRO 58 Cb 0.00 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1k5k s PRO 58 CO 0.00 -2.53 1.61 -1.35 0.04 0.00 0.00 177.00 174.77 1k5k h PRO 59 N -1.70 -0.72 -2.99 0.56 0.11 -1.92 -3.41 132.00 121.93 1k5k h PRO 59 Ca -0.43 0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 1k5k h PRO 59 Cb 1.22 0.16 -0.23 0.00 0.11 0.00 0.00 31.00 32.26 1k5k h PRO 59 CO 0.32 -0.48 -0.31 -1.14 -0.21 0.00 0.00 178.00 176.18 1k5k s GLN 60 N -5.99 0.50 0.00 1.05 2.00 -1.19 -3.86 119.66 112.17 1k5k s GLN 60 Ca -0.17 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 1k5k s GLN 60 Cb 0.06 0.23 0.00 0.00 0.80 0.00 0.00 33.01 34.10 1k5k s GLN 60 CO 0.63 -0.10 0.60 0.41 -0.50 0.00 0.00 175.29 176.33 1k5k n GLY 61 N 2.21 -2.23 0.36 2.59 0.00 -1.26 -3.60 105.19 103.27 1k5k n GLY 61 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.14 0.03 1.61 4.21 -1.96 0.54 115.58 118.87 1k5k h ASN 62 Ca 0.00 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1k5k h ASN 62 Cb 0.00 0.48 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1k5k h ASN 62 CO 0.00 -0.39 0.00 1.67 -1.29 0.00 0.00 177.43 177.42 1k5k n GLN 63 N -5.42 0.07 -0.08 0.81 7.27 -1.26 -0.98 117.38 117.79 1k5k n GLN 63 Ca -0.03 0.14 -0.19 0.00 0.07 0.00 0.00 57.00 56.98 1k5k n GLN 63 Cb 0.34 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.36 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 -1.15 1.22 0.00 1.69 0.00 -0.02 -4.43 120.51 117.82 1k5k n ALA 64 Ca 0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 53.44 52.55 1k5k n ALA 64 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.03 -0.03 -2.57 0.00 3.86 -0.41 -3.37 115.15 112.67 1k5k h HIS 65 Ca -0.52 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.09 1k5k h HIS 65 Cb 1.96 0.01 0.10 0.00 1.06 0.00 0.00 27.41 30.54 1k5k h HIS 65 CO 0.05 -0.02 0.25 0.94 0.86 0.00 0.00 177.93 180.01 1k5k n GLN 66 N -2.68 1.52 -0.09 2.45 7.27 -0.15 -4.75 117.38 120.95 1k5k n GLN 66 Ca -0.00 0.54 -0.14 0.00 0.07 0.00 0.00 57.00 57.46 1k5k n GLN 66 Cb 0.01 -1.98 -0.07 0.00 2.41 0.00 0.00 30.24 30.60 1k5k n GLN 66 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1k5k h ASP 67 N 2.45 0.00 0.00 1.69 3.58 -1.82 -3.46 116.42 118.86 1k5k h ASP 67 Ca -0.42 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 56.71 1k5k h ASP 67 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1k5k h ASP 67 CO 0.63 1.16 0.00 -0.81 -2.88 0.00 0.00 179.24 177.35 1k5k n PRO 68 N -4.52 0.00 0.06 0.28 -0.04 -1.26 -4.62 135.00 124.90 1k5k n PRO 68 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1k5k n PRO 68 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.15 -4.89 1.53 4.77 -1.26 -4.85 117.00 112.15 1k5k n LEU 69 Ca 0.00 0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 1k5k n LEU 69 Cb 0.00 0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1k5k n LEU 69 CO 0.00 -0.60 0.63 -2.16 -1.33 0.00 0.00 177.39 173.93 1k5k s PRO 70 N -2.00 3.18 -1.20 3.23 0.04 -1.26 -4.41 135.00 132.58 1k5k s PRO 70 Ca 0.00 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.26 1k5k s PRO 70 Cb 0.00 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1k5k s PRO 70 CO 0.00 -0.68 2.30 -0.85 0.04 0.00 0.00 177.00 177.81 1k5k n GLU 71 N -2.69 2.54 -3.40 4.56 0.00 -1.26 -3.82 120.64 116.57 1k5k n GLU 71 Ca 0.05 -2.05 -0.27 0.00 0.00 0.00 0.00 57.16 54.90 1k5k n GLU 71 Cb 0.56 -2.88 -0.10 0.00 0.00 0.00 0.00 31.44 29.02 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 3.45 0.75 -0.44 3.44 -0.21 -1.26 -5.02 119.66 120.37 1k5k s GLN 72 Ca 0.53 -1.70 -0.28 0.00 0.02 0.00 0.00 55.36 53.93 1k5k s GLN 72 Cb 0.14 -1.29 0.00 0.00 1.00 0.00 0.00 33.01 32.87 1k5k s GLN 72 CO -0.02 -1.31 1.50 -1.25 -2.12 0.00 0.00 175.29 172.09 1k5k s PRO 73 N 0.56 3.43 0.00 2.91 0.04 -1.26 -3.50 135.00 137.18 1k5k s PRO 73 Ca 0.26 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1k5k s PRO 73 Cb -0.08 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1k5k s PRO 73 CO -0.10 -1.75 0.00 0.45 0.04 0.00 0.00 177.00 175.64 1k5k n SER 74 N 9.41 0.00 -4.06 6.66 2.88 -1.26 -4.81 113.62 122.44 1k5k n SER 74 Ca 0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1k5k n SER 74 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 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 1.90 0.40 -0.38 -3.46 1.04 -1.26 -3.42 113.70 108.52 1k5k s SER 75 Ca 0.00 -0.98 -0.06 0.00 0.48 0.00 0.00 55.95 55.39 1k5k s SER 75 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1k5k s SER 75 CO 0.00 -0.64 0.43 1.67 0.98 0.00 0.00 173.24 175.68 1k5k n GLN 76 N 0.05 -1.29 -3.17 4.02 7.27 -1.26 -4.21 117.38 118.79 1k5k n GLN 76 Ca -0.13 1.41 -0.19 0.00 0.07 0.00 0.00 57.00 58.16 1k5k n GLN 76 Cb 0.62 -4.32 0.05 0.00 2.41 0.00 0.00 30.24 28.99 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 -0.87 -2.04 0.00 3.69 -0.00 -1.26 -4.98 115.22 109.77 1k5k n HIS 77 Ca 0.05 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.42 1k5k n HIS 77 Cb 0.39 -4.12 0.00 0.00 -0.00 0.00 0.00 29.99 26.27 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 -3.86 0.00 -3.00 1.57 5.12 -1.26 -4.70 116.66 110.53 1k5k n ARG 78 Ca -0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.67 1k5k n ARG 78 Cb 0.57 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.84 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 2.63 4.33 0.34 -0.13 0.00 -1.22 -4.20 105.19 106.94 1k5k n GLY 79 Ca 0.00 -2.13 0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 2.96 0.00 0.00 1.61 3.04 -1.85 -3.39 116.42 118.79 1k5k h ASP 80 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1k5k h ASP 80 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 1k5k h ASP 80 CO 0.64 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.84 1k5k n HIS 81 N -3.37 0.00 -1.66 4.15 1.44 -1.26 -4.98 115.22 109.54 1k5k n HIS 81 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1k5k n HIS 81 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.41 0.62 -2.82 -1.40 -0.05 -1.26 -2.59 135.00 127.08 1k5k n PRO 82 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 63.50 63.02 1k5k n PRO 82 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.44 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 -0.04 4.65 0.00 0.52 2.01 -1.26 -4.88 115.64 116.64 1k5k s THR 83 Ca 0.00 -2.10 0.00 0.00 0.31 0.00 0.00 61.69 59.90 1k5k s THR 83 Cb 0.00 -4.97 0.00 0.00 0.01 0.00 0.00 72.50 67.54 1k5k s THR 83 CO 0.00 -1.73 0.00 0.61 -0.69 0.00 0.00 174.62 172.81 1k5k n GLY 84 N 4.93 -0.83 0.12 4.40 0.00 -1.26 -5.03 105.19 107.52 1k5k n GLY 84 Ca 0.37 0.83 -0.18 0.00 0.00 0.00 0.00 46.02 47.05 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 0.32 -2.95 1.61 0.13 -1.86 -3.40 132.00 125.85 1k5k h PRO 85 Ca 0.00 -0.39 -0.61 0.00 -0.87 0.00 0.00 66.00 64.13 1k5k h PRO 85 Cb 0.00 0.12 -0.40 0.00 0.13 0.00 0.00 31.00 30.85 1k5k h PRO 85 CO 0.00 1.10 -0.75 0.21 -0.23 0.00 0.00 178.00 178.33 1k5k s LYS 86 N -2.96 1.21 0.00 0.86 2.20 -1.25 -4.03 119.74 115.77 1k5k s LYS 86 Ca -0.14 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 53.54 1k5k s LYS 86 Cb 0.02 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1k5k s LYS 86 CO 0.80 -1.16 0.00 -1.91 -0.36 0.00 0.00 175.35 172.72