#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 0.70 0.00 7.83 1.82 -1.95 -3.24 116.42 121.58 1k5k h ASP 2 Ca 0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1k5k h ASP 2 Cb 0.00 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1k5k h ASP 2 CO 0.00 0.29 0.00 -0.81 -1.61 0.00 0.00 179.24 177.11 1k5k n PRO 3 N -4.65 0.36 0.00 0.28 -0.04 -1.26 -4.57 135.00 125.12 1k5k n PRO 3 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1k5k n PRO 3 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.00 0.00 0.00 0.52 0.31 -1.22 -5.08 118.33 111.85 1k5k n VAL 4 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1k5k n VAL 4 Cb 0.04 -0.06 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 0.14 -4.58 4.52 5.75 -1.26 -5.05 116.55 116.07 1k5k n ASP 5 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 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 -1.69 3.04 0.00 0.11 0.04 -1.26 -4.49 135.00 130.75 1k5k s PRO 6 Ca 0.00 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1k5k s PRO 6 Cb 0.00 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1k5k s PRO 6 CO 0.00 0.56 0.15 0.09 0.04 0.00 0.00 177.00 177.84 1k5k n ASN 7 N 2.54 0.00 -3.62 6.66 3.02 -1.26 -4.34 115.26 118.27 1k5k n ASN 7 Ca -0.18 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.23 1k5k n ASN 7 Cb 0.53 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.82 1.31 0.18 3.41 1.43 -1.26 -4.80 118.68 118.13 1k5k s LEU 8 Ca 0.00 -1.53 -0.07 0.00 -1.03 0.00 0.00 54.13 51.51 1k5k s LEU 8 Cb 0.00 -0.58 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 1k5k s LEU 8 CO 0.00 -0.42 0.45 -0.70 0.23 0.00 0.00 176.35 175.91 1k5k s GLU 9 N 1.79 3.69 0.36 1.70 2.12 -1.26 -5.03 118.70 122.06 1k5k s GLU 9 Ca 0.10 0.05 0.17 0.00 0.36 0.00 0.00 54.97 55.66 1k5k s GLU 9 Cb -0.17 -2.76 1.24 0.00 0.26 0.00 0.00 34.13 32.69 1k5k s GLU 9 CO -0.29 0.40 1.58 -1.35 -0.54 0.00 0.00 175.26 175.07 1k5k h PRO 10 N 2.67 0.02 -2.32 4.30 0.11 -1.96 -3.30 132.00 131.52 1k5k h PRO 10 Ca -0.46 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 1k5k h PRO 10 Cb 1.17 -0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1k5k h PRO 10 CO 0.71 0.01 -0.54 -0.46 -0.21 0.00 0.00 178.00 177.52 1k5k s TRP 11 N -5.61 -0.56 -0.38 0.65 -0.00 -1.26 -4.75 118.94 107.04 1k5k s TRP 11 Ca -0.10 0.67 0.06 0.00 -0.00 0.00 0.00 56.10 56.73 1k5k s TRP 11 Cb 0.33 -0.11 0.17 0.00 -0.00 0.00 0.00 33.47 33.85 1k5k s TRP 11 CO 0.78 -0.61 0.51 1.21 -0.00 0.00 0.00 176.95 178.85 1k5k s ASN 12 N 2.45 -0.32 -0.36 5.86 2.47 -1.25 -4.94 114.94 118.86 1k5k s ASN 12 Ca 0.08 -1.06 -0.11 0.00 0.42 0.00 0.00 52.86 52.19 1k5k s ASN 12 Cb -0.15 1.34 0.01 0.00 -1.45 0.00 0.00 41.25 41.01 1k5k s ASN 12 CO -0.13 -0.22 0.21 -2.28 -3.72 0.00 0.00 177.10 170.96 1k5k s HIS 13 N 1.75 3.23 -0.02 0.43 5.65 -1.26 -4.79 115.29 120.27 1k5k s HIS 13 Ca 0.16 -0.74 -0.23 0.00 0.25 0.00 0.00 55.06 54.49 1k5k s HIS 13 Cb -0.09 -2.44 -0.17 0.00 -1.18 0.00 0.00 32.58 28.70 1k5k s HIS 13 CO -0.07 -0.57 1.07 -1.35 -0.65 0.00 0.00 174.74 173.17 1k5k h PRO 14 N 8.45 -0.25 0.00 2.88 0.11 -1.86 -3.48 132.00 137.84 1k5k h PRO 14 Ca -0.28 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1k5k h PRO 14 Cb 1.12 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k5k h PRO 14 CO 0.66 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 1k5k n GLY 15 N 0.18 3.26 0.00 -0.55 0.00 -1.23 -3.97 105.19 102.88 1k5k n GLY 15 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.41 1.61 3.41 -0.17 -4.12 113.62 109.94 1k5k n SER 16 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1k5k n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.35 1.48 -0.29 4.33 -1.52 -1.25 -3.02 119.66 120.73 1k5k s GLN 17 Ca 0.00 -1.53 -0.25 0.00 -1.95 0.00 0.00 55.36 51.63 1k5k s GLN 17 Cb 0.00 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 31.08 1k5k s GLN 17 CO 0.00 0.36 0.87 -1.25 -0.25 0.00 0.00 175.29 175.02 1k5k s PRO 18 N -2.81 4.05 -0.65 2.91 0.04 -1.26 -4.38 135.00 132.91 1k5k s PRO 18 Ca 0.21 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 1k5k s PRO 18 Cb -0.07 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1k5k s PRO 18 CO 0.10 -0.68 0.00 -2.13 0.04 0.00 0.00 177.00 174.33 1k5k n ARG 19 N 6.29 -0.97 -0.08 4.56 0.63 -1.26 -4.91 116.66 120.91 1k5k n ARG 19 Ca 0.06 0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.94 1k5k n ARG 19 Cb 0.48 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.85 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 -2.50 1.45 0.06 5.15 -1.04 -1.17 -2.85 114.28 113.39 1k5k n THR 20 Ca -0.14 0.15 -0.07 0.00 -2.04 0.00 0.00 64.05 61.96 1k5k n THR 20 Cb 0.29 -2.30 -0.12 0.00 -1.82 0.00 0.00 70.33 66.38 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 -0.30 -2.82 0.13 -1.79 -3.38 132.00 122.84 1k5k h PRO 21 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1k5k h PRO 21 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1k5k h PRO 21 CO -0.06 0.98 0.17 0.00 -0.23 0.00 0.00 178.00 178.87 1k5k n ASN 23 N -4.83 -4.81 -0.87 0.00 3.02 -1.26 -4.13 115.26 102.37 1k5k n ASN 23 Ca -0.02 0.48 0.03 0.00 -0.03 0.00 0.00 54.58 55.04 1k5k n ASN 23 Cb 0.06 -1.34 0.13 0.00 -0.61 0.00 0.00 39.78 38.02 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 -2.18 2.19 -3.55 3.52 4.81 -1.26 -4.94 118.16 116.75 1k5k n LYS 24 Ca 0.00 -1.05 -0.16 0.00 -0.87 0.00 0.00 58.31 56.23 1k5k n LYS 24 Cb 0.20 -1.65 -0.06 0.00 0.02 0.00 0.00 35.03 33.55 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 1.22 2.67 0.00 0.00 4.01 -1.26 -4.49 117.16 119.31 1k5k n TYR 26 Ca -0.17 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1k5k n TYR 26 Cb 0.57 -2.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.14 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 -3.59 -1.36 0.00 0.00 -1.26 -2.26 118.16 109.70 1k5k n LYS 28 Ca 0.00 2.83 -0.33 0.00 0.00 0.00 0.00 58.31 60.81 1k5k n LYS 28 Cb 0.00 -4.77 0.09 0.00 0.00 0.00 0.00 35.03 30.36 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 -1.10 2.13 0.00 1.64 2.36 -1.26 -3.91 119.74 119.59 1k5k s LYS 29 Ca -0.12 1.52 0.00 0.00 -2.55 0.00 0.00 55.97 54.82 1k5k s LYS 29 Cb 0.01 -1.86 0.00 0.00 -1.05 0.00 0.00 37.83 34.93 1k5k s LYS 29 CO 0.70 -1.79 0.00 0.00 1.55 0.00 0.00 175.35 175.81 1k5k s TYR 32 N -2.93 2.22 -0.15 0.00 5.04 -1.26 -4.95 117.35 115.31 1k5k s TYR 32 Ca 0.00 0.50 -0.05 0.00 -2.44 0.00 0.00 57.07 55.08 1k5k s TYR 32 Cb 0.00 -3.85 0.08 0.00 0.35 0.00 0.00 41.96 38.54 1k5k s TYR 32 CO 0.00 -3.05 0.28 -1.58 -1.34 0.00 0.00 175.55 169.86 1k5k s HIS 33 N 4.32 -0.48 -0.09 4.97 2.46 -1.26 -4.51 115.29 120.70 1k5k s HIS 33 Ca 0.68 0.95 -0.30 0.00 0.47 0.00 0.00 55.06 56.87 1k5k s HIS 33 Cb -0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.12 1k5k s HIS 33 CO 0.26 -0.42 1.15 0.00 -2.47 0.00 0.00 174.74 173.26 1k5k n GLN 35 N 5.43 0.00 -1.54 0.00 -0.06 -1.26 -4.40 117.38 115.55 1k5k n GLN 35 Ca 0.11 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.71 1k5k n GLN 35 Cb 0.47 0.00 -0.05 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 1.05 0.00 3.69 0.00 -1.05 -4.95 117.12 115.86 1k5k n MET 36 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1k5k n MET 36 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 33.22 30.21 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 -0.70 -1.10 -0.36 0.00 0.08 -1.26 -4.87 117.98 109.77 1k5k s PHE 38 Ca 0.00 -0.31 -0.24 0.00 0.12 0.00 0.00 56.93 56.49 1k5k s PHE 38 Cb 0.00 0.01 0.01 0.00 -0.57 0.00 0.00 43.02 42.47 1k5k s PHE 38 CO 0.00 -1.10 0.85 0.96 -0.10 0.00 0.00 175.22 175.83 1k5k s ILE 39 N 1.53 4.67 -1.32 0.64 -5.25 -1.26 -4.99 121.20 115.23 1k5k s ILE 39 Ca 0.18 1.05 -0.18 0.00 -0.99 0.00 0.00 60.65 60.71 1k5k s ILE 39 Cb -0.08 -4.26 0.06 0.00 2.95 0.00 0.00 42.46 41.14 1k5k s ILE 39 CO -0.05 -0.46 1.80 0.35 -1.79 0.00 0.00 174.94 174.79 1k5k n THR 40 N 5.84 3.84 -3.36 8.37 -2.24 -1.26 -4.90 114.28 120.59 1k5k n THR 40 Ca 0.05 -3.93 -0.42 0.00 -2.27 0.00 0.00 64.05 57.49 1k5k n THR 40 Cb 0.48 -2.38 -0.02 0.00 -2.10 0.00 0.00 70.33 66.32 1k5k n THR 40 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1k5k n LYS 41 N 8.11 3.46 0.00 -0.78 -0.00 -1.26 -4.79 118.16 122.90 1k5k n LYS 41 Ca 0.49 -4.49 0.00 0.00 -0.00 0.00 0.00 58.31 54.31 1k5k n LYS 41 Cb 0.45 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 32.99 1k5k n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k5k n GLY 42 N 2.24 0.88 2.49 2.58 0.00 -1.26 -5.01 105.19 107.11 1k5k n GLY 42 Ca 0.24 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 7.98 0.00 0.99 4.77 -1.26 -4.57 117.00 124.91 1k5k n LEU 43 Ca 0.00 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 1k5k n LEU 43 Cb 0.00 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1k5k n LEU 43 CO 0.00 2.05 0.05 0.61 -1.33 0.00 0.00 177.39 178.78 1k5k n GLY 44 N 1.58 0.66 1.65 -0.72 0.00 -1.16 -4.88 105.19 102.33 1k5k n GLY 44 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.68 0.00 -0.02 -0.61 5.41 -1.26 -4.55 119.36 117.65 1k5k n ILE 45 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1k5k n ILE 45 Cb 0.00 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 38.56 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 -0.44 -2.67 4.38 4.64 -1.93 -0.64 113.55 116.89 1k5k h SER 46 Ca 0.00 0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.84 1k5k h SER 46 Cb 0.00 0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1k5k h SER 46 CO 0.00 -0.18 1.21 -0.31 -0.87 0.00 0.00 176.83 176.68 1k5k s TYR 47 N -6.15 1.90 -0.30 4.77 2.02 -1.26 -4.54 117.35 113.79 1k5k s TYR 47 Ca -0.14 0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 56.89 1k5k s TYR 47 Cb 0.11 -4.05 0.19 0.00 -0.40 0.00 0.00 41.96 37.80 1k5k s TYR 47 CO 0.68 -3.14 1.23 0.20 -1.57 0.00 0.00 175.55 172.95 1k5k s GLY 48 N 5.14 0.41 0.00 0.71 0.00 -1.22 -2.98 107.32 109.37 1k5k s GLY 48 Ca 0.77 3.57 0.00 0.00 0.00 0.00 0.00 44.72 49.06 1k5k s GLY 48 CO 0.32 2.50 0.23 -2.13 0.00 0.00 0.00 173.10 174.02 1k5k n ARG 49 N 2.84 0.00 -2.33 2.90 0.63 -1.26 -4.17 116.66 115.27 1k5k n ARG 49 Ca -0.16 0.36 -0.40 0.00 -0.92 0.00 0.00 57.85 56.74 1k5k n ARG 49 Cb 0.57 -0.99 0.01 0.00 0.45 0.00 0.00 32.46 32.49 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 -1.58 4.74 0.00 -0.14 4.81 -1.26 -4.85 118.16 119.88 1k5k n LYS 50 Ca 0.00 -4.11 0.00 0.00 -0.87 0.00 0.00 58.31 53.33 1k5k n LYS 50 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.59 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 0.35 0.00 -1.97 1.64 5.02 -1.26 -5.16 118.16 116.78 1k5k n LYS 51 Ca 0.52 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.80 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 -1.17 -0.13 1.97 0.63 -0.25 -5.00 116.66 112.71 1k5k n ARG 52 Ca 0.00 1.28 0.00 0.00 -0.92 0.00 0.00 57.85 58.21 1k5k n ARG 52 Cb 0.00 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.15 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 0.05 3.22 -3.29 -0.14 0.63 -1.26 -4.94 116.66 110.92 1k5k n ARG 53 Ca 0.01 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.97 1k5k n ARG 53 Cb 0.05 0.00 -0.03 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 0.80 0.35 -0.02 -0.14 0.74 -1.26 -4.38 119.66 115.75 1k5k s GLN 54 Ca 0.00 0.74 0.02 0.00 0.05 0.00 0.00 55.36 56.17 1k5k s GLN 54 Cb 0.00 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1k5k s GLN 54 CO 0.00 -0.27 -0.08 0.50 -0.55 0.00 0.00 175.29 174.89 1k5k s ARG 55 N 2.75 0.86 -0.16 1.67 3.52 -1.26 -5.12 118.95 121.22 1k5k s ARG 55 Ca 0.03 -0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1k5k s ARG 55 Cb -0.10 -0.82 0.03 0.00 -1.56 0.00 0.00 34.95 32.51 1k5k s ARG 55 CO -0.16 0.09 -0.08 0.50 -0.81 0.00 0.00 175.30 174.84 1k5k s ARG 56 N 0.22 1.67 0.04 5.12 3.00 -1.26 -4.54 118.95 123.19 1k5k s ARG 56 Ca -0.03 -0.51 0.00 0.00 -1.00 0.00 0.00 55.73 54.19 1k5k s ARG 56 Cb -0.08 -1.98 0.00 0.00 0.00 0.00 0.00 34.95 32.89 1k5k s ARG 56 CO 0.00 -0.36 0.00 -2.13 0.00 0.00 0.00 175.30 172.81 1k5k n ARG 57 N 4.85 0.00 -1.19 5.12 0.00 -1.26 -4.90 116.66 119.28 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 0.48 -0.14 0.23 0.00 0.00 0.00 0.00 32.46 33.03 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 -1.32 -0.87 0.11 -0.14 0.04 -1.26 -5.03 135.00 126.53 1k5k s PRO 58 Ca 0.00 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.68 1k5k s PRO 58 Cb 0.00 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 1k5k s PRO 58 CO 0.00 -3.48 1.50 -1.35 0.04 0.00 0.00 177.00 173.71 1k5k h PRO 59 N -2.42 -0.46 -3.09 0.56 0.11 -1.91 -3.42 132.00 121.37 1k5k h PRO 59 Ca -0.46 0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1k5k h PRO 59 Cb 1.29 0.11 -0.17 0.00 0.11 0.00 0.00 31.00 32.33 1k5k h PRO 59 CO 0.37 -0.31 -0.17 -1.14 -0.21 0.00 0.00 178.00 176.54 1k5k s GLN 60 N -5.43 0.86 0.00 1.05 2.00 -1.13 -3.87 119.66 113.14 1k5k s GLN 60 Ca -0.14 -0.37 0.00 0.00 -2.00 0.00 0.00 55.36 52.85 1k5k s GLN 60 Cb 0.07 0.38 0.00 0.00 0.80 0.00 0.00 33.01 34.26 1k5k s GLN 60 CO 0.55 -0.28 0.30 0.41 -0.50 0.00 0.00 175.29 175.77 1k5k n GLY 61 N 0.64 -0.74 0.23 2.59 0.00 -1.26 -3.57 105.19 103.07 1k5k n GLY 61 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.59 0.14 1.61 4.21 -1.96 0.33 115.58 119.33 1k5k h ASN 62 Ca 0.00 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1k5k h ASN 62 Cb 0.00 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1k5k h ASN 62 CO 0.00 -0.20 0.00 1.67 -1.29 0.00 0.00 177.43 177.61 1k5k n GLN 63 N -5.36 0.27 0.03 0.81 7.27 -1.26 -0.69 117.38 118.45 1k5k n GLN 63 Ca 0.03 0.10 -0.18 0.00 0.07 0.00 0.00 57.00 57.02 1k5k n GLN 63 Cb 0.27 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.28 1k5k n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k5k h ALA 64 N 2.68 0.39 0.00 1.69 0.00 -1.01 -3.42 119.26 119.59 1k5k h ALA 64 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 54.91 53.57 1k5k h ALA 64 Cb 0.07 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1k5k h ALA 64 CO 0.00 1.25 -0.40 0.45 0.00 0.00 0.00 179.25 180.56 1k5k h HIS 65 N 0.07 0.00 -3.80 0.00 3.86 -0.94 -3.38 115.15 110.96 1k5k h HIS 65 Ca -0.33 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.39 1k5k h HIS 65 Cb 2.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.49 1k5k h HIS 65 CO 0.07 1.09 0.15 -1.14 0.86 0.00 0.00 177.93 178.96 1k5k s GLN 66 N -2.24 3.98 -0.17 2.45 0.74 0.14 -4.70 119.66 119.87 1k5k s GLN 66 Ca -0.21 0.71 -0.14 0.00 0.05 0.00 0.00 55.36 55.76 1k5k s GLN 66 Cb -0.00 -2.37 -0.06 0.00 1.10 0.00 0.00 33.01 31.68 1k5k s GLN 66 CO 0.62 0.06 -0.25 -0.25 -0.55 0.00 0.00 175.29 174.92 1k5k n ASP 67 N -0.68 1.88 0.00 6.67 9.92 -1.26 -4.78 116.55 128.30 1k5k n ASP 67 Ca 0.04 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1k5k n ASP 67 Cb 0.53 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 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 -4.51 0.00 0.07 -0.24 -0.04 -1.26 -4.66 135.00 124.36 1k5k n PRO 68 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1k5k n PRO 68 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.87 -4.87 1.53 4.77 -1.25 -4.83 117.00 111.47 1k5k n LEU 69 Ca 0.00 0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 1k5k n LEU 69 Cb 0.00 1.01 -0.01 0.00 -2.33 0.00 0.00 43.42 42.09 1k5k n LEU 69 CO 0.00 -0.39 0.57 -2.16 -1.33 0.00 0.00 177.39 174.08 1k5k s PRO 70 N -2.00 3.70 -1.10 3.23 0.04 -1.26 -4.59 135.00 133.01 1k5k s PRO 70 Ca 0.00 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1k5k s PRO 70 Cb 0.00 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1k5k s PRO 70 CO 0.00 -0.29 2.24 -0.85 0.04 0.00 0.00 177.00 178.14 1k5k n GLU 71 N -2.03 2.36 -3.52 4.56 0.00 -1.26 -4.26 120.64 116.49 1k5k n GLU 71 Ca 0.04 -1.90 -0.28 0.00 0.00 0.00 0.00 57.16 55.02 1k5k n GLU 71 Cb 0.54 -2.79 -0.12 0.00 0.00 0.00 0.00 31.44 29.08 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 3.58 0.92 -0.85 3.44 -0.21 -1.26 -5.04 119.66 120.24 1k5k s GLN 72 Ca 0.51 -1.83 -0.25 0.00 0.02 0.00 0.00 55.36 53.82 1k5k s GLN 72 Cb 0.13 -1.67 -0.00 0.00 1.00 0.00 0.00 33.01 32.47 1k5k s GLN 72 CO -0.01 -1.26 1.70 -1.25 -2.12 0.00 0.00 175.29 172.35 1k5k s PRO 73 N 0.46 2.94 0.00 2.91 0.04 -1.26 -3.60 135.00 136.48 1k5k s PRO 73 Ca 0.23 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1k5k s PRO 73 Cb -0.14 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1k5k s PRO 73 CO -0.07 -2.75 0.00 0.45 0.04 0.00 0.00 177.00 174.67 1k5k n SER 74 N 11.69 0.91 -4.15 6.66 2.88 -1.26 -4.85 113.62 125.50 1k5k n SER 74 Ca 0.28 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1k5k n SER 74 Cb 0.49 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 1.42 0.85 -0.17 -3.46 1.04 -1.26 -2.26 113.70 109.86 1k5k s SER 75 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 1k5k s SER 75 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1k5k s SER 75 CO 0.00 -0.55 0.19 1.67 0.98 0.00 0.00 173.24 175.53 1k5k n GLN 76 N -0.03 -0.54 -3.57 4.02 7.27 -1.26 -4.50 117.38 118.77 1k5k n GLN 76 Ca -0.11 0.88 -0.20 0.00 0.07 0.00 0.00 57.00 57.64 1k5k n GLN 76 Cb 0.61 -2.73 0.06 0.00 2.41 0.00 0.00 30.24 30.59 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 -0.84 -2.05 0.00 3.69 -0.00 -1.26 -4.96 115.22 109.79 1k5k n HIS 77 Ca 0.02 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.59 1k5k n HIS 77 Cb 0.32 -4.56 0.00 0.00 -0.00 0.00 0.00 29.99 25.75 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 -4.13 0.00 -3.16 1.57 5.12 -1.26 -4.74 116.66 110.06 1k5k n ARG 78 Ca -0.27 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.46 1k5k n ARG 78 Cb 0.67 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.93 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 1.42 3.81 0.34 -0.13 0.00 -0.96 -4.20 105.19 105.48 1k5k n GLY 79 Ca 0.00 -1.82 0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 3.05 0.01 0.00 1.61 3.04 -1.82 -3.41 116.42 118.89 1k5k h ASP 80 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1k5k h ASP 80 Cb 0.91 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 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 -4.43 0.00 -1.91 4.15 1.44 -1.26 -4.98 115.22 108.22 1k5k n HIS 81 Ca 0.05 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1k5k n HIS 81 Cb 0.43 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.54 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 -0.57 0.45 -2.53 -1.40 -0.05 -1.26 -2.53 135.00 127.11 1k5k n PRO 82 Ca 0.00 -0.02 -0.41 0.00 -0.05 0.00 0.00 63.50 63.02 1k5k n PRO 82 Cb 0.00 -0.01 -0.02 0.00 -0.05 0.00 0.00 33.50 33.42 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 -0.12 3.96 0.00 0.52 2.01 -1.26 -4.86 115.64 115.89 1k5k s THR 83 Ca 0.01 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.83 1k5k s THR 83 Cb -0.00 -5.05 0.00 0.00 0.01 0.00 0.00 72.50 67.46 1k5k s THR 83 CO 0.00 -1.89 0.00 0.61 -0.69 0.00 0.00 174.62 172.65 1k5k n GLY 84 N 6.30 -1.43 0.11 4.40 0.00 -1.26 -5.02 105.19 108.28 1k5k n GLY 84 Ca 0.40 0.90 -0.08 0.00 0.00 0.00 0.00 46.02 47.24 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 0.13 -2.25 1.61 0.13 -1.86 -3.40 132.00 126.37 1k5k h PRO 85 Ca 0.00 -0.15 -0.46 0.00 -0.87 0.00 0.00 66.00 64.52 1k5k h PRO 85 Cb 0.00 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 30.83 1k5k h PRO 85 CO 0.00 0.92 -0.75 0.21 -0.23 0.00 0.00 178.00 178.15 1k5k s LYS 86 N -3.15 0.57 0.00 0.86 2.20 -1.26 -3.96 119.74 115.00 1k5k s LYS 86 Ca -0.02 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 1k5k s LYS 86 Cb 0.10 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 1k5k s LYS 86 CO 0.82 -1.19 0.00 -1.91 -0.36 0.00 0.00 175.35 172.71