#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 -0.91 0.00 7.83 1.82 -1.93 -3.37 116.42 119.87 1k5k h ASP 2 Ca 0.00 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1k5k h ASP 2 Cb 0.00 0.40 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1k5k h ASP 2 CO 0.00 -0.32 0.00 -0.81 -1.61 0.00 0.00 179.24 176.50 1k5k n PRO 3 N -5.40 0.43 0.00 0.28 -0.04 -1.26 -4.44 135.00 124.58 1k5k n PRO 3 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1k5k n PRO 3 Cb 0.31 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.72 0.00 0.00 0.52 0.31 -1.26 -5.10 118.33 112.08 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 0.02 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 1.98 -4.58 4.52 5.75 -1.26 -5.07 116.55 117.88 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 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.75 2.61 0.00 0.11 0.04 -1.26 -4.51 135.00 130.24 1k5k s PRO 6 Ca 0.00 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1k5k s PRO 6 Cb 0.00 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1k5k s PRO 6 CO 0.00 0.63 0.00 0.09 0.04 0.00 0.00 177.00 177.76 1k5k n ASN 7 N 1.84 0.00 -3.77 6.66 3.02 -1.26 -4.36 115.26 117.38 1k5k n ASN 7 Ca -0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.10 1k5k n ASN 7 Cb 0.53 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.57 3.81 0.10 3.41 1.43 -1.26 -4.85 118.68 120.77 1k5k s LEU 8 Ca 0.00 -3.49 -0.11 0.00 -1.03 0.00 0.00 54.13 49.50 1k5k s LEU 8 Cb 0.00 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 1k5k s LEU 8 CO 0.00 -0.13 0.45 -0.70 0.23 0.00 0.00 176.35 176.19 1k5k s GLU 9 N -0.84 3.82 0.35 1.70 2.12 -1.26 -5.02 118.70 119.56 1k5k s GLU 9 Ca 0.25 0.26 0.17 0.00 0.36 0.00 0.00 54.97 56.01 1k5k s GLU 9 Cb -0.06 -2.96 1.21 0.00 0.26 0.00 0.00 34.13 32.58 1k5k s GLU 9 CO -0.14 0.53 1.53 -2.30 -0.54 0.00 0.00 175.26 174.33 1k5k n PRO 10 N 0.82 -0.06 -3.36 4.30 -0.02 -1.26 -3.90 135.00 131.53 1k5k n PRO 10 Ca -0.07 1.35 -0.12 0.00 -2.02 0.00 0.00 63.50 62.65 1k5k n PRO 10 Cb 0.52 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 -5.55 -0.77 -0.28 6.00 -0.00 -1.26 -4.54 118.94 112.54 1k5k s TRP 11 Ca -0.09 0.38 -0.02 0.00 -0.00 0.00 0.00 56.10 56.37 1k5k s TRP 11 Cb 0.32 -0.18 0.17 0.00 -0.00 0.00 0.00 33.47 33.78 1k5k s TRP 11 CO 0.75 -0.85 0.51 1.21 -0.00 0.00 0.00 176.95 178.58 1k5k s ASN 12 N 2.49 -0.74 -0.32 5.86 2.47 -1.25 -4.94 114.94 118.50 1k5k s ASN 12 Ca 0.10 0.63 -0.01 0.00 0.42 0.00 0.00 52.86 54.01 1k5k s ASN 12 Cb -0.14 1.75 0.07 0.00 -1.45 0.00 0.00 41.25 41.48 1k5k s ASN 12 CO -0.25 -0.27 0.03 -2.28 -3.72 0.00 0.00 177.10 170.61 1k5k s HIS 13 N 2.73 3.40 0.07 0.43 5.65 -1.26 -4.76 115.29 121.56 1k5k s HIS 13 Ca 0.17 -2.21 -0.29 0.00 0.25 0.00 0.00 55.06 52.98 1k5k s HIS 13 Cb -0.15 -2.43 -0.18 0.00 -1.18 0.00 0.00 32.58 28.64 1k5k s HIS 13 CO -0.19 -0.87 1.64 -1.35 -0.65 0.00 0.00 174.74 173.33 1k5k h PRO 14 N 7.92 -0.57 0.00 2.88 0.11 -1.85 -3.48 132.00 137.01 1k5k h PRO 14 Ca -0.17 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1k5k h PRO 14 Cb 1.05 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k5k h PRO 14 CO 0.56 -0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.38 1k5k n GLY 15 N -1.30 4.51 0.00 -0.55 0.00 -1.21 -4.31 105.19 102.33 1k5k n GLY 15 Ca -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.51 -3.78 113.62 109.68 1k5k n SER 16 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1k5k n SER 16 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.27 2.67 -0.29 4.33 -1.52 -1.26 -2.52 119.66 121.34 1k5k s GLN 17 Ca 0.00 -0.70 -0.24 0.00 -1.95 0.00 0.00 55.36 52.47 1k5k s GLN 17 Cb 0.00 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 1k5k s GLN 17 CO 0.00 0.59 0.83 -1.25 -0.25 0.00 0.00 175.29 175.21 1k5k s PRO 18 N -1.78 4.02 -0.16 2.91 0.04 -1.26 -4.77 135.00 134.00 1k5k s PRO 18 Ca 0.21 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1k5k s PRO 18 Cb -0.12 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.72 1k5k s PRO 18 CO 0.12 -0.66 0.01 0.54 0.04 0.00 0.00 177.00 177.05 1k5k n ARG 19 N 6.23 -0.99 -0.03 4.56 1.74 -1.24 -4.90 116.66 122.03 1k5k n ARG 19 Ca 0.05 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.94 1k5k n ARG 19 Cb 0.48 -0.38 -0.13 0.00 -1.02 0.00 0.00 32.46 31.41 1k5k n ARG 19 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1k5k h THR 20 N 0.55 1.19 -0.27 0.55 2.02 -1.70 -3.09 112.91 112.16 1k5k h THR 20 Ca -0.06 -2.34 -0.19 0.00 0.77 0.00 0.00 66.41 64.59 1k5k h THR 20 Cb 0.14 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1k5k h THR 20 CO 0.07 0.59 -0.56 1.55 0.37 0.00 0.00 175.52 177.54 1k5k h PRO 21 N -0.63 0.86 0.13 6.66 0.13 -1.83 -3.34 132.00 133.98 1k5k h PRO 21 Ca -0.24 -0.56 -0.01 0.00 -0.87 0.00 0.00 66.00 64.32 1k5k h PRO 21 Cb 1.48 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.69 1k5k h PRO 21 CO -0.02 1.19 -0.06 0.00 -0.23 0.00 0.00 178.00 178.89 1k5k n ASN 23 N -5.13 -5.34 -1.08 0.00 3.02 -1.26 -3.76 115.26 101.72 1k5k n ASN 23 Ca -0.08 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1k5k n ASN 23 Cb 0.13 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 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 -3.22 0.78 -3.59 3.52 4.81 -1.26 -4.84 118.16 114.36 1k5k n LYS 24 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.30 1k5k n LYS 24 Cb 0.42 -1.11 -0.05 0.00 0.02 0.00 0.00 35.03 34.31 1k5k n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k5k s TYR 26 N -1.02 3.05 0.00 0.00 2.02 -1.26 -4.62 117.35 115.53 1k5k s TYR 26 Ca 0.01 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.74 1k5k s TYR 26 Cb -0.01 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 1k5k s TYR 26 CO -0.01 -1.85 0.00 0.00 -1.57 0.00 0.00 175.55 172.12 1k5k n LYS 28 N 0.00 -4.18 -1.72 0.00 0.00 -1.26 -2.88 118.16 108.13 1k5k n LYS 28 Ca 0.00 3.16 -0.37 0.00 0.00 0.00 0.00 58.31 61.10 1k5k n LYS 28 Cb 0.00 -4.35 0.07 0.00 0.00 0.00 0.00 35.03 30.75 1k5k n LYS 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1k5k n LYS 29 N 1.51 1.14 0.00 1.64 0.00 -1.26 -4.12 118.16 117.07 1k5k n LYS 29 Ca -0.22 0.45 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1k5k n LYS 29 Cb 0.34 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 32.87 1k5k n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k5k s TYR 32 N -2.16 2.54 -0.25 0.00 5.04 -1.26 -4.97 117.35 116.30 1k5k s TYR 32 Ca 0.00 0.71 -0.05 0.00 -2.44 0.00 0.00 57.07 55.29 1k5k s TYR 32 Cb 0.00 -3.66 0.13 0.00 0.35 0.00 0.00 41.96 38.78 1k5k s TYR 32 CO 0.00 -2.49 0.48 -1.58 -1.34 0.00 0.00 175.55 170.62 1k5k s HIS 33 N 3.63 -1.06 -0.01 4.97 2.46 -1.26 -4.82 115.29 119.19 1k5k s HIS 33 Ca 0.62 1.53 -0.30 0.00 0.47 0.00 0.00 55.06 57.38 1k5k s HIS 33 Cb -0.26 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.51 1k5k s HIS 33 CO 0.20 -0.65 1.31 0.00 -2.47 0.00 0.00 174.74 173.14 1k5k n GLN 35 N 5.20 0.00 -1.55 0.00 -0.06 -1.26 -4.33 117.38 115.37 1k5k n GLN 35 Ca 0.12 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.75 1k5k n GLN 35 Cb 0.45 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.60 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 1.12 0.00 3.69 0.00 -1.17 -4.96 117.12 115.81 1k5k n MET 36 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1k5k n MET 36 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 33.22 29.81 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 -1.83 -1.35 -0.26 0.00 0.08 -1.26 -4.88 117.98 108.49 1k5k s PHE 38 Ca 0.00 1.58 -0.10 0.00 0.12 0.00 0.00 56.93 58.53 1k5k s PHE 38 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 42.86 1k5k s PHE 38 CO 0.00 -0.79 0.14 0.96 -0.10 0.00 0.00 175.22 175.43 1k5k s ILE 39 N 2.78 4.96 -1.12 0.64 -5.25 -1.26 -5.06 121.20 116.88 1k5k s ILE 39 Ca 0.14 0.05 -0.18 0.00 -0.99 0.00 0.00 60.65 59.67 1k5k s ILE 39 Cb -0.15 -3.34 0.10 0.00 2.95 0.00 0.00 42.46 42.03 1k5k s ILE 39 CO -0.19 0.30 1.45 0.42 -1.79 0.00 0.00 174.94 175.13 1k5k s THR 40 N 1.56 4.44 -0.37 8.37 -4.23 -1.26 -4.98 115.64 119.18 1k5k s THR 40 Ca 0.07 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 1k5k s THR 40 Cb -0.15 -4.99 -0.00 0.00 1.34 0.00 0.00 72.50 68.69 1k5k s THR 40 CO 0.07 -1.78 0.33 -1.59 -0.54 0.00 0.00 174.62 171.11 1k5k s LYS 41 N 3.39 3.37 0.00 3.99 0.00 -1.26 -4.84 119.74 124.39 1k5k s LYS 41 Ca 0.44 -0.63 0.00 0.00 0.00 0.00 0.00 55.97 55.78 1k5k s LYS 41 Cb -0.01 -3.86 0.00 0.00 0.00 0.00 0.00 37.83 33.96 1k5k s LYS 41 CO -0.03 -0.59 0.00 0.41 0.00 0.00 0.00 175.35 175.14 1k5k n GLY 42 N 5.05 -1.68 3.02 0.59 0.00 -1.26 -5.00 105.19 105.91 1k5k n GLY 42 Ca -0.10 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 6.35 0.00 0.99 4.77 -1.26 -4.69 117.00 123.15 1k5k n LEU 43 Ca 0.00 -4.92 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 1k5k n LEU 43 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1k5k n LEU 43 CO 0.00 1.46 0.03 0.61 -1.33 0.00 0.00 177.39 178.16 1k5k n GLY 44 N 2.23 1.24 1.73 -0.72 0.00 -1.25 -4.97 105.19 103.45 1k5k n GLY 44 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.55 0.05 -0.00 -0.61 5.41 -1.26 -4.66 119.36 117.72 1k5k n ILE 45 Ca 0.00 0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 1k5k n ILE 45 Cb 0.00 -0.78 -0.09 0.00 -0.71 0.00 0.00 39.64 38.06 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 0.03 -2.95 4.38 4.64 -1.92 0.27 113.55 117.99 1k5k h SER 46 Ca 0.00 -0.36 -0.54 0.00 -0.47 0.00 0.00 61.79 60.43 1k5k h SER 46 Cb 0.24 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1k5k h SER 46 CO 0.00 0.38 0.78 -0.31 -0.87 0.00 0.00 176.83 176.81 1k5k s TYR 47 N -4.78 3.03 -0.30 4.77 2.02 -1.26 -4.28 117.35 116.55 1k5k s TYR 47 Ca -0.15 0.87 -0.16 0.00 -0.37 0.00 0.00 57.07 57.26 1k5k s TYR 47 Cb 0.03 -3.68 0.21 0.00 -0.40 0.00 0.00 41.96 38.12 1k5k s TYR 47 CO 0.68 -2.46 1.26 0.20 -1.57 0.00 0.00 175.55 173.65 1k5k s GLY 48 N 1.52 0.64 -0.05 0.71 0.00 -1.26 -3.92 107.32 104.95 1k5k s GLY 48 Ca 0.65 3.85 -0.01 0.00 0.00 0.00 0.00 44.72 49.20 1k5k s GLY 48 CO 0.29 2.78 0.06 -0.09 0.00 0.00 0.00 173.10 176.13 1k5k h ARG 49 N 5.15 -0.03 -2.29 2.90 2.43 -1.96 -3.36 114.38 117.22 1k5k h ARG 49 Ca -0.26 0.00 -0.79 0.00 -0.81 0.00 0.00 59.98 58.12 1k5k h ARG 49 Cb 1.16 0.01 -0.28 0.00 -0.42 0.00 0.00 29.97 30.43 1k5k h ARG 49 CO 0.23 -0.02 0.91 1.17 -1.51 0.00 0.00 179.97 180.76 1k5k n LYS 50 N -3.62 5.26 0.00 0.20 4.81 -1.26 -4.92 118.16 118.63 1k5k n LYS 50 Ca -0.00 -4.68 0.00 0.00 -0.87 0.00 0.00 58.31 52.76 1k5k n LYS 50 Cb 0.01 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 -0.00 0.00 -1.37 1.64 5.02 -1.26 -5.17 118.16 117.02 1k5k n LYS 51 Ca 0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 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 0.00 -4.40 1.97 0.63 0.95 -4.93 116.66 110.87 1k5k n ARG 52 Ca 0.00 0.46 -0.20 0.00 -0.92 0.00 0.00 57.85 57.18 1k5k n ARG 52 Cb 0.00 -1.35 -0.10 0.00 0.45 0.00 0.00 32.46 31.46 1k5k n ARG 52 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1k5k s ARG 53 N -0.95 1.48 -0.15 -0.14 3.52 -1.21 -4.98 118.95 116.52 1k5k s ARG 53 Ca 0.00 -1.71 -0.03 0.00 -0.13 0.00 0.00 55.73 53.86 1k5k s ARG 53 Cb 0.00 -1.19 0.05 0.00 -1.56 0.00 0.00 34.95 32.25 1k5k s ARG 53 CO 0.00 0.12 0.04 -1.14 -0.81 0.00 0.00 175.30 173.51 1k5k s GLN 54 N -3.68 0.45 -0.03 5.12 0.74 -1.26 -4.43 119.66 116.58 1k5k s GLN 54 Ca 0.27 -0.17 0.05 0.00 0.05 0.00 0.00 55.36 55.56 1k5k s GLN 54 Cb 0.01 -1.69 -0.01 0.00 1.10 0.00 0.00 33.01 32.43 1k5k s GLN 54 CO 0.10 -0.55 -0.17 0.50 -0.55 0.00 0.00 175.29 174.62 1k5k s ARG 55 N 1.97 1.61 0.09 1.67 3.52 -1.26 -5.10 118.95 121.45 1k5k s ARG 55 Ca 0.01 -0.62 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1k5k s ARG 55 Cb -0.15 -1.47 -0.05 0.00 -1.56 0.00 0.00 34.95 31.72 1k5k s ARG 55 CO -0.07 0.31 0.28 0.50 -0.81 0.00 0.00 175.30 175.51 1k5k s ARG 56 N -0.18 3.52 0.00 5.12 3.52 -1.26 -4.74 118.95 124.92 1k5k s ARG 56 Ca 0.01 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1k5k s ARG 56 Cb -0.09 -2.96 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1k5k s ARG 56 CO 0.01 0.55 0.00 -2.13 -0.81 0.00 0.00 175.30 172.92 1k5k n ARG 57 N 0.24 0.00 -0.65 5.12 0.00 -1.26 -4.74 116.66 115.37 1k5k n ARG 57 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.51 1k5k n ARG 57 Cb 0.51 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.24 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 -0.48 -2.24 0.08 -0.14 0.04 -1.26 -5.03 135.00 125.97 1k5k s PRO 58 Ca 0.00 0.07 -0.33 0.00 0.04 0.00 0.00 61.00 60.78 1k5k s PRO 58 Cb 0.00 -1.46 -0.15 0.00 0.04 0.00 0.00 34.50 32.92 1k5k s PRO 58 CO 0.00 -4.41 1.52 -1.35 0.04 0.00 0.00 177.00 172.79 1k5k h PRO 59 N -3.09 -0.83 -3.39 0.56 0.11 -1.95 -3.43 132.00 119.99 1k5k h PRO 59 Ca -0.44 0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1k5k h PRO 59 Cb 1.32 0.19 -0.13 0.00 0.11 0.00 0.00 31.00 32.49 1k5k h PRO 59 CO 0.31 -0.55 -0.09 -1.14 -0.21 0.00 0.00 178.00 176.31 1k5k s GLN 60 N -5.61 1.04 0.00 1.05 2.00 -1.17 -4.29 119.66 112.69 1k5k s GLN 60 Ca -0.16 -0.70 0.00 0.00 -2.00 0.00 0.00 55.36 52.50 1k5k s GLN 60 Cb 0.04 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.31 1k5k s GLN 60 CO 0.56 -0.40 0.22 0.41 -0.50 0.00 0.00 175.29 175.58 1k5k n GLY 61 N -0.16 -0.72 0.34 2.59 0.00 -1.26 -4.40 105.19 101.59 1k5k n GLY 61 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.96 0.00 1.61 4.21 -1.98 -0.88 115.58 117.59 1k5k h ASN 62 Ca 0.00 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1k5k h ASN 62 Cb 0.00 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1k5k h ASN 62 CO 0.00 -0.40 0.00 1.67 -1.29 0.00 0.00 177.43 177.41 1k5k n GLN 63 N -5.42 0.08 -0.11 0.81 7.27 -1.26 -1.82 117.38 116.93 1k5k n GLN 63 Ca -0.06 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.88 1k5k n GLN 63 Cb 0.33 -1.36 -0.14 0.00 2.41 0.00 0.00 30.24 31.48 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 -0.86 1.49 -0.04 1.69 0.00 -0.34 -4.52 120.51 117.93 1k5k n ALA 64 Ca 0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 53.44 52.22 1k5k n ALA 64 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 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 0.00 -0.03 -4.17 0.00 3.86 -1.41 -3.38 115.15 110.03 1k5k h HIS 65 Ca -0.54 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.13 1k5k h HIS 65 Cb 2.06 0.01 0.15 0.00 1.06 0.00 0.00 27.41 30.69 1k5k h HIS 65 CO 0.01 0.17 0.40 -1.14 0.86 0.00 0.00 177.93 178.23 1k5k s GLN 66 N -1.79 2.32 -0.11 2.45 0.74 -0.76 -4.77 119.66 117.74 1k5k s GLN 66 Ca -0.04 1.74 -0.12 0.00 0.05 0.00 0.00 55.36 56.99 1k5k s GLN 66 Cb -0.00 -1.86 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 1k5k s GLN 66 CO 0.14 -1.69 -0.23 -0.25 -0.55 0.00 0.00 175.29 172.72 1k5k n ASP 67 N -2.53 1.32 0.00 6.67 9.92 -1.26 -4.81 116.55 125.87 1k5k n ASP 67 Ca 0.13 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1k5k n ASP 67 Cb 0.50 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1k5k n ASP 67 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1k5k n PRO 68 N -3.83 0.00 0.06 -0.24 -0.04 -1.26 -4.44 135.00 125.25 1k5k n PRO 68 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1k5k n PRO 68 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.51 -4.80 1.53 4.77 -1.26 -4.76 117.00 111.97 1k5k n LEU 69 Ca 0.00 0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.86 1k5k n LEU 69 Cb 0.00 0.64 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1k5k n LEU 69 CO 0.00 -0.47 0.72 -2.16 -1.33 0.00 0.00 177.39 174.15 1k5k s PRO 70 N -2.00 3.19 -0.16 3.23 0.04 -1.26 -4.47 135.00 133.57 1k5k s PRO 70 Ca 0.00 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 1k5k s PRO 70 Cb 0.00 -2.01 -0.20 0.00 0.04 0.00 0.00 34.50 32.33 1k5k s PRO 70 CO 0.00 -0.92 2.97 -0.85 0.04 0.00 0.00 177.00 178.24 1k5k n GLU 71 N -2.13 1.78 -3.67 4.56 0.00 -1.26 -3.77 120.64 116.14 1k5k n GLU 71 Ca 0.09 -0.94 -0.29 0.00 0.00 0.00 0.00 57.16 56.03 1k5k n GLU 71 Cb 0.53 -1.99 -0.12 0.00 0.00 0.00 0.00 31.44 29.85 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 1.55 1.34 -1.12 3.44 -0.21 -1.26 -4.98 119.66 118.42 1k5k s GLN 72 Ca 0.54 -2.17 -0.24 0.00 0.02 0.00 0.00 55.36 53.52 1k5k s GLN 72 Cb 0.24 -2.27 -0.13 0.00 1.00 0.00 0.00 33.01 31.85 1k5k s GLN 72 CO -0.01 -1.22 2.01 -1.25 -2.12 0.00 0.00 175.29 172.71 1k5k s PRO 73 N 0.10 2.02 0.00 2.91 0.04 -1.26 -3.24 135.00 135.57 1k5k s PRO 73 Ca 0.21 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.44 1k5k s PRO 73 Cb -0.17 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1k5k s PRO 73 CO -0.05 -4.48 0.00 0.45 0.04 0.00 0.00 177.00 172.95 1k5k n SER 74 N 16.32 0.45 -4.47 6.66 2.88 -1.26 -4.78 113.62 129.41 1k5k n SER 74 Ca 0.43 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.64 1k5k n SER 74 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 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 1.29 4.39 -0.08 -3.46 1.04 -1.26 -2.24 113.70 113.37 1k5k s SER 75 Ca 0.00 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 1k5k s SER 75 Cb 0.00 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.67 1k5k s SER 75 CO 0.00 0.24 0.10 1.67 0.98 0.00 0.00 173.24 176.22 1k5k n GLN 76 N 3.04 -0.56 -3.29 4.02 7.27 -1.26 -4.55 117.38 122.05 1k5k n GLN 76 Ca -0.18 0.88 -0.16 0.00 0.07 0.00 0.00 57.00 57.61 1k5k n GLN 76 Cb 0.53 -2.27 0.08 0.00 2.41 0.00 0.00 30.24 30.98 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 -0.31 -2.01 0.00 3.69 -0.00 -1.26 -4.98 115.22 110.35 1k5k n HIS 77 Ca 0.02 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 1k5k n HIS 77 Cb 0.07 -4.72 0.00 0.00 -0.00 0.00 0.00 29.99 25.35 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 -3.19 1.57 5.12 -1.26 -4.70 116.66 110.34 1k5k n ARG 78 Ca -0.23 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.46 1k5k n ARG 78 Cb 0.64 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.87 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 1.18 2.64 0.34 -0.13 0.00 -0.95 -4.27 105.19 104.00 1k5k n GLY 79 Ca 0.00 -1.45 0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 4.19 0.00 0.00 1.61 2.03 -1.85 -3.41 116.42 118.99 1k5k h ASP 80 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1k5k h ASP 80 Cb 0.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1k5k h ASP 80 CO 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.65 1k5k n HIS 81 N -3.05 0.00 -2.70 4.15 1.44 -1.26 -4.95 115.22 108.85 1k5k n HIS 81 Ca -0.03 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.65 1k5k n HIS 81 Cb 0.11 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.23 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 -0.39 0.76 -2.58 -1.40 -0.05 -1.26 -3.02 135.00 127.06 1k5k n PRO 82 Ca 0.00 -0.43 -0.42 0.00 -0.05 0.00 0.00 63.50 62.60 1k5k n PRO 82 Cb 0.00 -0.06 -0.02 0.00 -0.05 0.00 0.00 33.50 33.37 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 0.17 4.03 0.00 0.52 2.01 -1.26 -4.82 115.64 116.28 1k5k s THR 83 Ca 0.09 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1k5k s THR 83 Cb -0.01 -5.12 0.00 0.00 0.01 0.00 0.00 72.50 67.39 1k5k s THR 83 CO 0.06 -1.97 0.00 0.61 -0.69 0.00 0.00 174.62 172.63 1k5k n GLY 84 N 6.19 -1.79 0.10 4.40 0.00 -1.26 -5.00 105.19 107.82 1k5k n GLY 84 Ca 0.40 0.92 -0.18 0.00 0.00 0.00 0.00 46.02 47.16 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 0.12 -2.54 1.61 0.13 -1.85 -3.42 132.00 126.06 1k5k h PRO 85 Ca 0.00 -0.21 -0.63 0.00 -0.87 0.00 0.00 66.00 64.29 1k5k h PRO 85 Cb 0.00 0.08 -0.40 0.00 0.13 0.00 0.00 31.00 30.80 1k5k h PRO 85 CO 0.00 1.10 -0.43 1.17 -0.23 0.00 0.00 178.00 179.61 1k5k n LYS 86 N -4.34 2.56 0.00 0.86 4.81 -1.25 -4.35 118.16 116.46 1k5k n LYS 86 Ca -0.17 -4.61 0.00 0.00 -0.87 0.00 0.00 58.31 52.66 1k5k n LYS 86 Cb 0.67 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1k5k n LYS 86 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66