#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 0.17 0.37 7.83 1.82 -1.94 -3.34 116.42 121.33 1k5k h ASP 2 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1k5k h ASP 2 Cb 0.00 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1k5k h ASP 2 CO 0.00 0.10 0.00 -0.81 -1.61 0.00 0.00 179.24 176.92 1k5k n PRO 3 N -4.43 0.10 0.00 0.28 -0.04 -1.26 -4.64 135.00 125.02 1k5k n PRO 3 Ca 0.10 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1k5k n PRO 3 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.39 0.00 0.05 0.52 0.31 -1.26 -5.07 118.33 111.50 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 0.14 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.07 -4.50 4.52 5.75 -1.26 -5.04 116.55 116.08 1k5k n ASP 5 Ca 0.00 0.18 -0.34 0.00 -0.01 0.00 0.00 54.79 54.63 1k5k n ASP 5 Cb 0.00 0.10 -0.12 0.00 -1.03 0.00 0.00 41.12 40.07 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 -2.00 3.26 0.00 0.11 0.04 -1.26 -4.57 135.00 130.58 1k5k s PRO 6 Ca 0.00 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1k5k s PRO 6 Cb 0.00 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1k5k s PRO 6 CO 0.00 0.40 0.06 0.09 0.04 0.00 0.00 177.00 177.59 1k5k n ASN 7 N 3.04 0.00 -3.61 6.66 3.02 -1.26 -4.19 115.26 118.91 1k5k n ASN 7 Ca -0.18 0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.18 1k5k n ASN 7 Cb 0.53 0.00 -0.17 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 -0.17 0.32 -0.02 3.41 1.43 -1.26 -4.69 118.68 117.70 1k5k s LEU 8 Ca 0.00 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1k5k s LEU 8 Cb 0.00 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1k5k s LEU 8 CO 0.00 -0.34 -0.00 -0.70 0.23 0.00 0.00 176.35 175.54 1k5k s GLU 9 N 2.14 2.82 0.42 1.70 2.12 -1.26 -5.05 118.70 121.59 1k5k s GLU 9 Ca 0.02 -0.57 0.28 0.00 0.36 0.00 0.00 54.97 55.06 1k5k s GLU 9 Cb -0.16 -2.69 1.39 0.00 0.26 0.00 0.00 34.13 32.93 1k5k s GLU 9 CO -0.09 0.64 1.62 -1.35 -0.54 0.00 0.00 175.26 175.54 1k5k h PRO 10 N 4.51 0.09 -2.42 4.30 0.11 -1.97 -3.25 132.00 133.37 1k5k h PRO 10 Ca -0.49 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 1k5k h PRO 10 Cb 1.18 -0.02 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 1k5k h PRO 10 CO 0.57 0.06 -0.57 -0.46 -0.21 0.00 0.00 178.00 177.38 1k5k s TRP 11 N -5.36 -0.44 -0.32 0.65 -0.00 -1.26 -4.59 118.94 107.63 1k5k s TRP 11 Ca -0.08 0.50 0.06 0.00 -0.00 0.00 0.00 56.10 56.58 1k5k s TRP 11 Cb 0.30 -0.21 0.20 0.00 -0.00 0.00 0.00 33.47 33.76 1k5k s TRP 11 CO 0.81 -0.59 0.62 1.21 -0.00 0.00 0.00 176.95 179.00 1k5k s ASN 12 N 2.40 -1.57 -0.30 5.86 2.47 -1.23 -4.95 114.94 117.62 1k5k s ASN 12 Ca 0.07 -0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.27 1k5k s ASN 12 Cb -0.15 1.99 0.02 0.00 -1.45 0.00 0.00 41.25 41.66 1k5k s ASN 12 CO -0.12 -0.26 0.06 -2.28 -3.72 0.00 0.00 177.10 170.77 1k5k s HIS 13 N 2.61 3.17 0.05 0.43 5.65 -1.26 -4.76 115.29 121.19 1k5k s HIS 13 Ca 0.12 -1.26 -0.19 0.00 0.25 0.00 0.00 55.06 53.97 1k5k s HIS 13 Cb -0.08 -2.22 -0.13 0.00 -1.18 0.00 0.00 32.58 28.97 1k5k s HIS 13 CO -0.22 -0.66 1.35 -1.35 -0.65 0.00 0.00 174.74 173.21 1k5k h PRO 14 N 8.17 0.44 0.00 2.88 0.11 -1.88 -3.48 132.00 138.24 1k5k h PRO 14 Ca -0.29 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1k5k h PRO 14 Cb 1.11 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1k5k h PRO 14 CO 0.59 0.81 0.00 0.41 -0.21 0.00 0.00 178.00 179.61 1k5k n GLY 15 N 0.23 4.28 0.00 -0.55 0.00 -1.24 -4.22 105.19 103.70 1k5k n GLY 15 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.46 1.61 3.41 -0.64 -3.97 113.62 109.57 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 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.48 1.65 -0.25 4.33 -1.52 -1.26 -3.13 119.66 119.96 1k5k s GLN 17 Ca 0.00 -1.68 -0.29 0.00 -1.95 0.00 0.00 55.36 51.44 1k5k s GLN 17 Cb 0.00 -1.81 0.01 0.00 -0.22 0.00 0.00 33.01 30.99 1k5k s GLN 17 CO 0.00 0.35 1.11 -1.25 -0.25 0.00 0.00 175.29 175.25 1k5k s PRO 18 N -3.25 4.17 -0.19 2.91 0.04 -1.26 -4.47 135.00 132.94 1k5k s PRO 18 Ca 0.27 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1k5k s PRO 18 Cb -0.06 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1k5k s PRO 18 CO 0.14 -0.77 0.02 -2.13 0.04 0.00 0.00 177.00 174.30 1k5k n ARG 19 N 6.62 -0.98 -0.08 4.56 0.63 -1.26 -4.91 116.66 121.24 1k5k n ARG 19 Ca 0.13 -0.10 -0.11 0.00 -0.92 0.00 0.00 57.85 56.85 1k5k n ARG 19 Cb 0.46 -0.23 -0.06 0.00 0.45 0.00 0.00 32.46 33.08 1k5k n ARG 19 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1k5k h THR 20 N 1.05 0.40 0.00 5.15 2.02 -1.71 -3.22 112.91 116.60 1k5k h THR 20 Ca -0.09 -1.49 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1k5k h THR 20 Cb 0.18 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1k5k h THR 20 CO 0.09 0.14 -0.65 1.55 0.37 0.00 0.00 175.52 177.01 1k5k h PRO 21 N -1.00 0.00 -0.20 6.66 0.13 -1.80 -3.39 132.00 132.40 1k5k h PRO 21 Ca -0.14 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.84 1k5k h PRO 21 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1k5k h PRO 21 CO -0.08 0.32 -0.51 0.00 -0.23 0.00 0.00 178.00 177.49 1k5k n ASN 23 N -3.98 -3.81 -2.83 0.00 3.02 -1.26 -4.16 115.26 102.23 1k5k n ASN 23 Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 1k5k n ASN 23 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.84 3.49 0.00 3.52 4.81 -1.26 -5.03 118.16 122.85 1k5k n LYS 24 Ca 0.00 -4.38 0.00 0.00 -0.87 0.00 0.00 58.31 53.06 1k5k n LYS 24 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.77 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 -0.58 2.86 0.00 0.00 2.02 -1.26 -4.54 117.35 115.84 1k5k s TYR 26 Ca 0.00 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.20 1k5k s TYR 26 Cb 0.00 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1k5k s TYR 26 CO 0.00 -1.73 0.00 0.00 -1.57 0.00 0.00 175.55 172.25 1k5k n LYS 28 N 0.00 -1.94 -1.69 0.00 0.00 -1.26 -2.41 118.16 110.86 1k5k n LYS 28 Ca 0.00 1.78 -0.39 0.00 0.00 0.00 0.00 58.31 59.70 1k5k n LYS 28 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 35.03 31.29 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 0.19 1.44 0.00 1.64 0.00 -1.26 -4.05 118.16 116.13 1k5k n LYS 29 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.86 1k5k n LYS 29 Cb 0.08 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 32.71 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 -3.22 1.98 -0.02 0.00 5.04 -1.26 -4.97 117.35 114.90 1k5k s TYR 32 Ca 0.00 0.46 0.02 0.00 -2.44 0.00 0.00 57.07 55.11 1k5k s TYR 32 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1k5k s TYR 32 CO 0.00 -3.25 -0.08 -1.58 -1.34 0.00 0.00 175.55 169.30 1k5k s HIS 33 N 5.26 0.88 -0.28 4.97 2.46 -1.26 -4.58 115.29 122.73 1k5k s HIS 33 Ca 0.74 -0.21 -0.23 0.00 0.47 0.00 0.00 55.06 55.84 1k5k s HIS 33 Cb -0.27 -0.62 -0.00 0.00 -0.13 0.00 0.00 32.58 31.55 1k5k s HIS 33 CO 0.30 -0.08 0.75 0.00 -2.47 0.00 0.00 174.74 173.24 1k5k n GLN 35 N 6.05 0.00 -1.81 0.00 -0.06 -1.26 -4.23 117.38 116.06 1k5k n GLN 35 Ca 0.03 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.63 1k5k n GLN 35 Cb 0.48 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.63 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 2.72 0.01 3.69 0.23 -1.06 -4.94 119.30 119.95 1k5k s MET 36 Ca 0.00 1.28 -0.12 0.00 -1.03 0.00 0.00 55.69 55.82 1k5k s MET 36 Cb 0.00 -4.40 -0.07 0.00 -1.53 0.00 0.00 34.83 28.83 1k5k s MET 36 CO 0.00 -2.59 0.99 0.00 -2.03 0.00 0.00 175.02 171.40 1k5k s PHE 38 N -3.61 -1.10 -0.29 0.00 0.08 -1.26 -4.83 117.98 106.98 1k5k s PHE 38 Ca -0.06 0.39 -0.13 0.00 0.12 0.00 0.00 56.93 57.24 1k5k s PHE 38 Cb 0.01 0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.62 1k5k s PHE 38 CO 0.19 -0.70 0.30 0.96 -0.10 0.00 0.00 175.22 175.87 1k5k s ILE 39 N 2.36 5.23 -1.46 0.64 -5.25 -1.26 -5.01 121.20 116.44 1k5k s ILE 39 Ca 0.17 0.32 -0.12 0.00 -0.99 0.00 0.00 60.65 60.03 1k5k s ILE 39 Cb -0.03 -3.66 0.04 0.00 2.95 0.00 0.00 42.46 41.76 1k5k s ILE 39 CO -0.17 0.15 2.31 0.35 -1.79 0.00 0.00 174.94 175.78 1k5k n THR 40 N 5.12 3.80 -2.74 8.37 -2.24 -1.26 -4.90 114.28 120.42 1k5k n THR 40 Ca -0.11 -3.19 -0.43 0.00 -2.27 0.00 0.00 64.05 58.05 1k5k n THR 40 Cb 0.51 -2.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 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 5.18 3.34 0.00 -0.78 -0.00 -1.26 -4.79 118.16 119.86 1k5k n LYS 41 Ca 0.55 -3.63 0.00 0.00 -0.00 0.00 0.00 58.31 55.23 1k5k n LYS 41 Cb 0.35 -3.14 0.00 0.00 -0.00 0.00 0.00 35.03 32.24 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 4.22 2.92 3.10 2.58 0.00 -1.26 -5.06 105.19 111.68 1k5k n GLY 42 Ca 0.41 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 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 6.17 0.00 0.99 4.77 -1.26 -4.65 117.00 123.01 1k5k n LEU 43 Ca 0.00 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1k5k n LEU 43 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1k5k n LEU 43 CO 0.00 1.57 0.03 0.61 -1.33 0.00 0.00 177.39 178.27 1k5k n GLY 44 N 1.81 1.06 1.66 -0.72 0.00 -1.23 -4.99 105.19 102.78 1k5k n GLY 44 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.69 0.25 -0.09 -0.61 5.41 -1.26 -4.41 119.36 117.97 1k5k n ILE 45 Ca 0.00 0.08 -0.06 0.00 1.00 0.00 0.00 62.75 63.77 1k5k n ILE 45 Cb 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 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 -0.49 -2.47 4.38 4.64 -1.93 0.48 113.55 118.16 1k5k h SER 46 Ca 0.00 0.12 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 1k5k h SER 46 Cb 0.00 0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1k5k h SER 46 CO 0.00 -0.18 1.27 -0.31 -0.87 0.00 0.00 176.83 176.74 1k5k s TYR 47 N -6.17 1.66 -0.29 4.77 2.02 -1.26 -4.00 117.35 114.07 1k5k s TYR 47 Ca -0.14 0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.79 1k5k s TYR 47 Cb 0.13 -4.04 0.12 0.00 -0.40 0.00 0.00 41.96 37.78 1k5k s TYR 47 CO 0.70 -3.73 0.78 0.20 -1.57 0.00 0.00 175.55 171.93 1k5k s GLY 48 N 5.64 -0.48 -0.02 0.71 0.00 -1.24 -3.57 107.32 108.37 1k5k s GLY 48 Ca 0.84 2.64 -0.03 0.00 0.00 0.00 0.00 44.72 48.16 1k5k s GLY 48 CO 0.34 2.83 0.33 -0.09 0.00 0.00 0.00 173.10 176.50 1k5k h ARG 49 N 7.28 -0.11 -1.83 2.90 2.43 -1.93 -3.39 114.38 119.73 1k5k h ARG 49 Ca -0.23 0.01 -0.74 0.00 -0.81 0.00 0.00 59.98 58.21 1k5k h ARG 49 Cb 1.16 0.03 -0.29 0.00 -0.42 0.00 0.00 29.97 30.44 1k5k h ARG 49 CO 0.13 -0.08 0.86 1.17 -1.51 0.00 0.00 179.97 180.54 1k5k n LYS 50 N -2.93 2.82 0.00 0.20 4.81 -1.26 -4.84 118.16 116.95 1k5k n LYS 50 Ca -0.01 -3.59 0.00 0.00 -0.87 0.00 0.00 58.31 53.83 1k5k n LYS 50 Cb 0.05 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 32.83 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 -0.58 0.00 -2.85 1.64 5.02 -1.26 -5.15 118.16 114.98 1k5k n LYS 51 Ca 0.53 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.81 1k5k n LYS 51 Cb 0.33 0.00 -0.01 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 -2.80 -2.01 1.97 0.63 0.16 -4.93 116.66 109.67 1k5k n ARG 52 Ca 0.00 2.32 -0.00 0.00 -0.92 0.00 0.00 57.85 59.25 1k5k n ARG 52 Cb 0.00 -3.59 -0.00 0.00 0.45 0.00 0.00 32.46 29.32 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 1.46 0.91 -3.18 -0.14 0.63 -1.26 -4.95 116.66 110.13 1k5k n ARG 53 Ca -0.13 -0.01 0.02 0.00 -0.92 0.00 0.00 57.85 56.81 1k5k n ARG 53 Cb 0.30 0.01 -0.02 0.00 0.45 0.00 0.00 32.46 33.20 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 -2.01 0.54 -0.18 -0.14 0.74 -1.26 -4.50 119.66 112.85 1k5k s GLN 54 Ca 0.00 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.34 1k5k s GLN 54 Cb 0.00 0.39 0.03 0.00 1.10 0.00 0.00 33.01 34.52 1k5k s GLN 54 CO 0.00 -0.64 -0.16 0.50 -0.55 0.00 0.00 175.29 174.44 1k5k s ARG 55 N 2.81 2.58 -0.00 1.67 3.52 -1.26 -5.10 118.95 123.17 1k5k s ARG 55 Ca 0.19 -0.78 -0.21 0.00 -0.13 0.00 0.00 55.73 54.81 1k5k s ARG 55 Cb -0.15 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.77 1k5k s ARG 55 CO -0.20 -0.27 0.60 0.50 -0.81 0.00 0.00 175.30 175.12 1k5k s ARG 56 N 1.36 4.32 0.27 5.12 3.52 -1.26 -4.53 118.95 127.75 1k5k s ARG 56 Ca 0.03 0.75 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1k5k s ARG 56 Cb -0.14 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1k5k s ARG 56 CO -0.11 0.37 0.00 -2.13 -0.81 0.00 0.00 175.30 172.62 1k5k n ARG 57 N 2.72 0.00 -0.81 5.12 0.00 -1.26 -4.73 116.66 117.70 1k5k n ARG 57 Ca -0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.55 1k5k n ARG 57 Cb 0.51 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.16 1k5k n ARG 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1k5k n PRO 58 N -3.28 -2.67 0.31 -0.14 -0.04 -1.26 -5.03 135.00 122.89 1k5k n PRO 58 Ca 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 63.50 61.98 1k5k n PRO 58 Cb 0.00 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 1k5k n PRO 58 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1k5k h PRO 59 N 0.00 -0.79 -2.91 0.54 0.11 -1.93 -3.41 132.00 123.61 1k5k h PRO 59 Ca -0.32 0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1k5k h PRO 59 Cb 0.97 0.18 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 1k5k h PRO 59 CO 0.21 -0.53 -0.01 -1.14 -0.21 0.00 0.00 178.00 176.32 1k5k s GLN 60 N -4.86 1.01 0.00 1.05 2.00 -1.22 -3.33 119.66 114.31 1k5k s GLN 60 Ca -0.12 -0.32 0.00 0.00 -2.00 0.00 0.00 55.36 52.92 1k5k s GLN 60 Cb 0.02 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.28 1k5k s GLN 60 CO 0.38 -0.36 0.40 0.41 -0.50 0.00 0.00 175.29 175.61 1k5k n GLY 61 N 0.37 -1.16 0.34 2.59 0.00 -1.26 -3.64 105.19 102.42 1k5k n GLY 61 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.97 0.13 1.61 4.21 -1.96 -0.04 115.58 118.56 1k5k h ASN 62 Ca 0.00 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1k5k h ASN 62 Cb 0.00 0.40 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1k5k h ASN 62 CO 0.00 -0.38 0.00 1.67 -1.29 0.00 0.00 177.43 177.43 1k5k n GLN 63 N -5.41 0.06 0.02 0.81 7.27 -1.26 -0.27 117.38 118.59 1k5k n GLN 63 Ca -0.04 0.28 -0.15 0.00 0.07 0.00 0.00 57.00 57.15 1k5k n GLN 63 Cb 0.33 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.34 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 2.25 0.49 0.00 1.69 0.00 -1.12 -3.42 119.26 119.14 1k5k h ALA 64 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 54.91 53.53 1k5k h ALA 64 Cb 0.06 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1k5k h ALA 64 CO 0.00 1.34 -0.56 0.45 0.00 0.00 0.00 179.25 180.48 1k5k h HIS 65 N 0.05 0.00 -3.56 0.00 3.86 -0.23 -3.39 115.15 111.88 1k5k h HIS 65 Ca -0.30 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.39 1k5k h HIS 65 Cb 2.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.46 1k5k h HIS 65 CO 0.05 0.71 -0.01 -1.14 0.86 0.00 0.00 177.93 178.39 1k5k s GLN 66 N -2.15 3.86 -0.06 2.45 0.74 0.63 -4.70 119.66 120.42 1k5k s GLN 66 Ca -0.18 0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.63 1k5k s GLN 66 Cb 0.02 -2.53 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 1k5k s GLN 66 CO 0.40 0.20 -0.05 -0.44 -0.55 0.00 0.00 175.29 174.86 1k5k h ASP 67 N 2.18 0.00 0.00 6.67 5.19 -1.88 -3.44 116.42 125.14 1k5k h ASP 67 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1k5k h ASP 67 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1k5k h ASP 67 CO 0.67 0.31 0.00 -0.81 -3.12 0.00 0.00 179.24 176.29 1k5k n PRO 68 N -3.41 0.00 0.00 3.56 -0.04 -1.26 -4.52 135.00 129.33 1k5k n PRO 68 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1k5k n PRO 68 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 0.00 -4.91 1.53 4.77 -1.26 -4.68 117.00 112.44 1k5k n LEU 69 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1k5k n LEU 69 Cb 0.00 0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1k5k n LEU 69 CO 0.00 -0.25 -0.05 -2.16 -1.33 0.00 0.00 177.39 173.60 1k5k s PRO 70 N -1.50 3.52 -1.05 3.23 0.04 -1.26 -4.68 135.00 133.31 1k5k s PRO 70 Ca 0.00 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 60.58 1k5k s PRO 70 Cb 0.00 -2.93 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 1k5k s PRO 70 CO 0.00 0.52 2.12 -0.85 0.04 0.00 0.00 177.00 178.82 1k5k n GLU 71 N 0.00 2.13 -3.19 4.56 0.00 -1.26 -4.49 120.64 118.39 1k5k n GLU 71 Ca -0.04 -2.02 -0.16 0.00 0.00 0.00 0.00 57.16 54.93 1k5k n GLU 71 Cb 0.52 -2.94 -0.06 0.00 0.00 0.00 0.00 31.44 28.96 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 4.04 0.87 -1.30 3.44 -0.21 -1.26 -5.05 119.66 120.20 1k5k s GLN 72 Ca 0.53 -1.36 -0.17 0.00 0.02 0.00 0.00 55.36 54.37 1k5k s GLN 72 Cb 0.14 -0.75 0.02 0.00 1.00 0.00 0.00 33.01 33.42 1k5k s GLN 72 CO 0.02 -1.31 1.94 -0.35 -2.12 0.00 0.00 175.29 173.48 1k5k n PRO 73 N 3.35 2.77 0.00 2.91 -0.04 -1.26 -3.53 135.00 139.20 1k5k n PRO 73 Ca 0.20 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 1k5k n PRO 73 Cb 0.50 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1k5k n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k5k n SER 74 N 8.17 0.00 -4.09 3.54 2.88 -1.26 -4.80 113.62 118.06 1k5k n SER 74 Ca 0.50 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.89 1k5k n SER 74 Cb 0.43 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.77 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 1.00 1.10 -0.08 -3.46 1.04 -1.26 -1.43 113.70 110.61 1k5k s SER 75 Ca 0.00 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 1k5k s SER 75 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1k5k s SER 75 CO 0.00 -0.15 0.10 1.67 0.98 0.00 0.00 173.24 175.84 1k5k n GLN 76 N 1.49 -0.33 -3.62 4.02 7.27 -1.26 -4.53 117.38 120.42 1k5k n GLN 76 Ca -0.22 0.73 -0.20 0.00 0.07 0.00 0.00 57.00 57.37 1k5k n GLN 76 Cb 0.55 -2.15 0.05 0.00 2.41 0.00 0.00 30.24 31.10 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 -0.63 -2.00 0.00 3.69 -0.00 -1.26 -4.97 115.22 110.06 1k5k n HIS 77 Ca 0.01 0.85 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 1k5k n HIS 77 Cb 0.17 -4.49 0.00 0.00 -0.00 0.00 0.00 29.99 25.67 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 -4.18 0.00 -3.25 1.57 5.12 -1.26 -4.77 116.66 109.89 1k5k n ARG 78 Ca -0.28 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.41 1k5k n ARG 78 Cb 0.67 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.90 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 1.54 1.86 0.21 -0.13 0.00 -0.52 -4.18 105.19 103.98 1k5k n GLY 79 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 5.15 0.00 0.00 1.61 2.03 -1.81 -3.43 116.42 119.96 1k5k h ASP 80 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1k5k h ASP 80 Cb 0.93 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1k5k h ASP 80 CO 0.34 0.27 0.00 0.00 -1.03 0.00 0.00 179.24 178.82 1k5k n HIS 81 N -4.04 0.00 -1.76 4.15 1.44 -1.26 -4.99 115.22 108.76 1k5k n HIS 81 Ca -0.02 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 1k5k n HIS 81 Cb 0.33 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.53 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 -0.92 -0.38 -2.49 -1.40 -0.05 -1.26 -2.55 135.00 125.95 1k5k n PRO 82 Ca 0.00 -1.15 -0.39 0.00 -0.05 0.00 0.00 63.50 61.91 1k5k n PRO 82 Cb 0.00 -0.59 -0.03 0.00 -0.05 0.00 0.00 33.50 32.83 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 -2.16 3.85 0.00 0.52 2.01 -1.26 -4.86 115.64 113.74 1k5k s THR 83 Ca 0.37 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1k5k s THR 83 Cb -0.01 -4.91 0.00 0.00 0.01 0.00 0.00 72.50 67.58 1k5k s THR 83 CO 0.25 -1.80 0.00 0.61 -0.69 0.00 0.00 174.62 172.99 1k5k n GLY 84 N 6.87 -1.12 0.13 4.40 0.00 -1.26 -5.02 105.19 109.19 1k5k n GLY 84 Ca 0.34 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 47.19 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 0.00 -1.54 1.61 0.13 -1.86 -3.42 132.00 126.93 1k5k h PRO 85 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1k5k h PRO 85 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 1k5k h PRO 85 CO 0.00 0.64 -0.67 0.21 -0.23 0.00 0.00 178.00 177.95 1k5k s LYS 86 N -3.42 0.97 0.00 0.86 2.20 -1.26 -4.10 119.74 114.99 1k5k s LYS 86 Ca -0.00 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1k5k s LYS 86 Cb 0.12 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.88 1k5k s LYS 86 CO 0.76 -1.33 0.00 -1.91 -0.36 0.00 0.00 175.35 172.51