#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n HIS 3 N 0.00 0.07 -3.92 1.39 8.25 -1.26 -4.86 115.22 114.90 3h1k n HIS 3 Ca 0.00 -0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 56.88 3h1k n HIS 3 Cb 0.00 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 3h1k n HIS 3 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1k s PHE 4 N -0.67 3.04 0.00 4.41 2.99 -1.26 -4.73 117.98 121.77 3h1k s PHE 4 Ca 0.05 -2.99 0.00 0.00 0.00 0.00 0.00 56.93 53.99 3h1k s PHE 4 Cb 0.03 -2.66 0.00 0.00 0.00 0.00 0.00 43.02 40.39 3h1k s PHE 4 CO 0.04 -0.78 0.00 0.41 -0.00 0.00 0.00 175.22 174.89 3h1k n GLY 5 N 3.40 2.92 0.16 4.36 0.00 -1.26 -4.98 105.19 109.80 3h1k n GLY 5 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3h1k n GLY 5 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h1k h ASN 6 N 1.06 0.00 0.00 1.61 2.35 -1.89 -3.41 115.58 115.30 3h1k h ASN 6 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h1k h ASN 6 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h1k h ASN 6 CO 0.00 0.46 0.00 0.18 -1.65 0.00 0.00 177.43 176.42 3h1k n LEU 7 N -3.37 0.00 -3.91 1.61 4.77 -1.26 -4.87 117.00 109.97 3h1k n LEU 7 Ca 0.01 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3h1k n LEU 7 Cb 0.63 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3h1k n LEU 7 CO 0.39 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.50 3h1k s ALA 8 N -1.37 -0.22 -0.41 -1.18 0.00 -1.26 -5.13 121.76 112.18 3h1k s ALA 8 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 3h1k s ALA 8 Cb 0.00 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3h1k s ALA 8 CO 0.00 -0.68 0.76 0.50 0.00 0.00 0.00 175.76 176.34 3h1k s ARG 9 N -3.94 3.53 -0.09 0.00 3.52 -1.26 -5.04 118.95 115.67 3h1k s ARG 9 Ca 0.15 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 3h1k s ARG 9 Cb 0.02 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 3h1k s ARG 9 CO -0.01 -0.99 -0.20 0.08 -0.81 0.00 0.00 175.30 173.37 3h1k s VAL 10 N 3.15 1.79 0.07 7.11 1.01 -1.26 -5.14 120.40 127.14 3h1k s VAL 10 Ca 0.29 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3h1k s VAL 10 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3h1k s VAL 10 CO 0.20 0.50 -0.12 -0.13 0.00 0.00 0.00 175.10 175.55 3h1k s ARG 11 N 0.50 0.76 -1.14 2.72 0.52 -1.26 -4.91 118.95 116.14 3h1k s ARG 11 Ca -0.16 -0.97 -0.06 0.00 -0.52 0.00 0.00 55.73 54.02 3h1k s ARG 11 Cb -0.17 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 3h1k s ARG 11 CO 0.06 0.13 0.88 0.72 0.02 0.00 0.00 175.30 177.11 3h1k n HIS 12 N 1.12 -2.23 -4.38 -0.53 8.25 -1.26 -5.03 115.22 111.16 3h1k n HIS 12 Ca -0.20 0.80 -0.22 0.00 -0.26 0.00 0.00 57.72 57.84 3h1k n HIS 12 Cb 0.55 -4.25 -0.16 0.00 1.12 0.00 0.00 29.99 27.24 3h1k n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h1k s ILE 13 N -3.44 0.83 0.01 1.59 1.01 -1.26 -5.12 121.20 114.82 3h1k s ILE 13 Ca 0.30 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3h1k s ILE 13 Cb -0.06 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 3h1k s ILE 13 CO 0.77 0.29 -0.13 -0.63 0.00 0.00 0.00 174.94 175.23 3h1k s ILE 14 N 0.76 3.15 -0.00 2.92 1.01 -1.26 -5.11 121.20 122.66 3h1k s ILE 14 Ca -0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 3h1k s ILE 14 Cb -0.15 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.00 3h1k s ILE 14 CO 0.02 0.40 0.01 0.42 0.00 0.00 0.00 174.94 175.79 3h1k s THR 15 N -0.92 -0.01 -0.02 2.92 -4.23 -1.26 -5.14 115.64 106.98 3h1k s THR 15 Ca 0.15 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.76 3h1k s THR 15 Cb -0.11 -0.02 -0.01 0.00 1.34 0.00 0.00 72.50 73.70 3h1k s THR 15 CO 0.05 0.02 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.66 3h1k s TYR 16 N 0.21 1.63 0.09 3.99 1.51 -1.26 -5.14 117.35 118.39 3h1k s TYR 16 Ca -0.02 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 3h1k s TYR 16 Cb -0.03 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3h1k s TYR 16 CO -0.01 -0.06 0.22 -1.12 -1.11 0.00 0.00 175.55 173.47 3h1k s SER 17 N -0.32 0.08 0.11 2.29 0.01 -1.26 -5.18 113.70 109.44 3h1k s SER 17 Ca 0.04 -0.61 0.10 0.00 1.31 0.00 0.00 55.95 56.79 3h1k s SER 17 Cb -0.08 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 3h1k s SER 17 CO -0.00 -0.75 -0.26 -0.76 0.41 0.00 0.00 173.24 171.89 3h1k s LEU 18 N -2.86 2.29 0.61 2.44 1.43 -1.26 -5.10 118.68 116.24 3h1k s LEU 18 Ca 0.05 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 3h1k s LEU 18 Cb 0.04 -1.17 -0.08 0.00 0.03 0.00 0.00 46.19 45.01 3h1k s LEU 18 CO -0.11 0.17 0.42 -0.24 0.23 0.00 0.00 176.35 176.82 3h1k n SER 19 N 1.08 -1.50 -0.14 2.29 2.88 -1.26 -4.79 113.62 112.18 3h1k n SER 19 Ca -0.18 0.68 -0.07 0.00 -1.33 0.00 0.00 58.87 57.97 3h1k n SER 19 Cb 0.53 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 62.87 3h1k n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h1k h PRO 20 N 0.02 0.50 -0.69 -1.46 0.11 -1.99 -2.42 132.00 126.07 3h1k h PRO 20 Ca -0.45 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3h1k h PRO 20 Cb 1.39 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3h1k h PRO 20 CO 0.45 0.33 0.46 0.74 -0.21 0.00 0.00 178.00 179.77 3h1k h PHE 21 N 0.52 0.53 0.00 0.65 0.04 -2.00 -1.91 116.94 114.78 3h1k h PHE 21 Ca 0.17 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.85 3h1k h PHE 21 Cb 0.00 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3h1k h PHE 21 CO -0.07 0.24 -0.52 0.93 -0.60 0.00 0.00 178.31 178.28 3h1k h GLU 22 N 0.49 0.00 -6.06 1.51 4.39 -1.77 -3.47 114.58 109.66 3h1k h GLU 22 Ca 0.33 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.47 3h1k h GLU 22 Cb 0.61 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 3h1k h GLU 22 CO -0.10 0.52 -0.29 1.14 -1.16 0.00 0.00 179.01 179.11 3h1k s GLN 23 N -3.09 2.31 0.27 2.33 -2.07 -0.72 -5.03 119.66 113.66 3h1k s GLN 23 Ca 0.03 -1.88 -0.23 0.00 -1.82 0.00 0.00 55.36 51.45 3h1k s GLN 23 Cb 0.09 -2.21 -0.09 0.00 -1.09 0.00 0.00 33.01 29.70 3h1k s GLN 23 CO 0.74 -0.56 0.83 1.03 -1.32 0.00 0.00 175.29 176.01 3h1k s ARG 24 N -4.29 4.43 0.08 9.60 0.52 -1.26 -4.90 118.95 123.12 3h1k s ARG 24 Ca 0.40 1.11 -0.36 0.00 -0.52 0.00 0.00 55.73 56.36 3h1k s ARG 24 Cb -0.03 -2.86 -0.18 0.00 0.52 0.00 0.00 34.95 32.40 3h1k s ARG 24 CO 0.25 0.35 1.57 0.00 0.02 0.00 0.00 175.30 177.49 3h1k h ALA 25 N 3.34 -1.20 -2.39 2.13 0.00 -2.00 -3.37 119.26 115.78 3h1k h ALA 25 Ca -0.47 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 3h1k h ALA 25 Cb 1.19 0.63 -0.38 0.00 0.00 0.00 0.00 17.79 19.23 3h1k h ALA 25 CO 0.65 -1.20 -0.95 -0.89 0.00 0.00 0.00 179.25 176.86 3h1k n ILE 26 N -5.60 -0.95 -2.17 0.00 5.41 -1.26 -5.12 119.36 109.67 3h1k n ILE 26 Ca -0.14 -3.58 -0.38 0.00 1.00 0.00 0.00 62.75 59.65 3h1k n ILE 26 Cb 0.48 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.69 3h1k n ILE 26 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h1k s PRO 27 N -0.16 3.85 -1.23 0.38 0.04 -1.26 -4.27 135.00 132.35 3h1k s PRO 27 Ca 0.33 1.94 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 3h1k s PRO 27 Cb 0.04 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 32.02 3h1k s PRO 27 CO -0.19 -0.52 0.65 0.09 0.04 0.00 0.00 177.00 177.06 3h1k n ASN 28 N -0.20 -3.71 -0.10 6.66 3.02 -1.26 -4.70 115.26 114.97 3h1k n ASN 28 Ca 0.06 -1.11 0.07 0.00 -0.03 0.00 0.00 54.58 53.57 3h1k n ASN 28 Cb 0.46 -2.75 0.41 0.00 -0.61 0.00 0.00 39.78 37.30 3h1k n ASN 28 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h1k h ILE 29 N -2.09 1.01 0.00 2.41 2.04 -1.97 -1.28 117.51 117.63 3h1k h ILE 29 Ca -0.67 -0.21 -0.18 0.00 1.00 0.00 0.00 64.86 64.80 3h1k h ILE 29 Cb 1.38 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3h1k h ILE 29 CO 0.53 0.11 -1.27 0.49 0.00 0.00 0.00 178.15 178.01 3h1k n PHE 30 N -4.47 0.65 0.32 1.37 3.01 -1.26 -1.82 117.46 115.26 3h1k n PHE 30 Ca 0.08 0.28 0.21 0.00 1.01 0.00 0.00 57.45 59.04 3h1k n PHE 30 Cb 0.22 -0.91 1.05 0.00 -0.01 0.00 0.00 39.48 39.84 3h1k n PHE 30 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h1k h SER 31 N -1.00 0.00 0.00 4.37 4.64 -1.96 -3.38 113.55 116.21 3h1k h SER 31 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3h1k h SER 31 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3h1k h SER 31 CO -0.17 0.00 -0.25 -0.67 -0.87 0.00 0.00 176.83 174.88 3h1k n ASP 32 N -3.05 0.22 0.00 4.97 2.03 -0.82 -4.87 116.55 115.02 3h1k n ASP 32 Ca -0.02 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.45 3h1k n ASP 32 Cb 0.14 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 3h1k n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1k n ALA 33 N -3.11 0.00 -0.34 -1.67 0.00 -0.55 -2.71 120.51 112.13 3h1k n ALA 33 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3h1k n ALA 33 Cb 0.12 0.07 0.08 0.00 0.00 0.00 0.00 19.45 19.72 3h1k n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h1k h LEU 34 N 0.00 -1.17 -1.41 0.00 3.38 -1.55 0.23 115.31 114.79 3h1k h LEU 34 Ca 0.00 0.29 0.31 0.00 0.09 0.00 0.00 57.88 58.57 3h1k h LEU 34 Cb 0.00 0.66 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 3h1k h LEU 34 CO 0.00 -0.30 0.72 -0.65 0.09 0.00 0.00 178.44 178.30 3h1k h PRO 35 N -0.02 0.29 0.10 1.13 0.11 -1.73 0.45 132.00 132.33 3h1k h PRO 35 Ca 0.38 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 66.19 3h1k h PRO 35 Cb 0.63 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3h1k h PRO 35 CO -0.95 0.19 -1.35 -0.91 -0.21 0.00 0.00 178.00 174.77 3h1k h ASN 36 N 0.30 0.33 -0.16 -2.05 2.35 -0.38 -1.25 115.58 114.71 3h1k h ASN 36 Ca 0.65 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3h1k h ASN 36 Cb 1.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 3h1k h ASN 36 CO -0.31 1.32 0.08 0.58 -1.65 0.00 0.00 177.43 177.45 3h1k h VAL 37 N 0.06 1.08 0.13 2.81 2.07 0.75 0.58 116.25 123.72 3h1k h VAL 37 Ca -0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3h1k h VAL 37 Cb 1.96 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3h1k h VAL 37 CO 0.17 0.10 -0.06 -0.25 0.02 0.00 0.00 177.57 177.54 3h1k h TRP 38 N 0.27 -0.16 -0.88 1.57 2.91 -0.59 -2.66 115.95 116.41 3h1k h TRP 38 Ca 0.07 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.19 3h1k h TRP 38 Cb 0.06 0.05 -0.12 0.00 -0.51 0.00 0.00 29.16 28.64 3h1k h TRP 38 CO 0.00 0.13 -0.45 -2.13 -1.03 0.00 0.00 178.44 174.96 3h1k n ARG 39 N -4.87 -0.31 0.12 2.65 0.63 -0.48 0.30 116.66 114.69 3h1k n ARG 39 Ca -0.05 1.34 -0.14 0.00 -0.92 0.00 0.00 57.85 58.08 3h1k n ARG 39 Cb 0.18 -1.98 -0.07 0.00 0.45 0.00 0.00 32.46 31.04 3h1k n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1k h ARG 40 N 0.00 -0.62 -0.21 -0.14 3.08 -0.99 -1.48 114.38 114.01 3h1k h ARG 40 Ca 0.21 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.34 3h1k h ARG 40 Cb 0.43 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3h1k h ARG 40 CO -0.85 -0.41 -0.52 0.35 -1.07 0.00 0.00 179.97 177.47 3h1k h PHE 41 N -0.65 -1.54 -0.20 3.04 3.57 -0.14 -2.95 116.94 118.07 3h1k h PHE 41 Ca 0.02 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3h1k h PHE 41 Cb 0.67 0.70 -0.03 0.00 2.79 0.00 0.00 35.95 40.09 3h1k h PHE 41 CO -0.36 -0.52 -0.16 0.77 -2.23 0.00 0.00 178.31 175.81 3h1k h SER 42 N -0.51 -0.57 -1.08 0.41 0.02 0.28 -2.31 113.55 109.78 3h1k h SER 42 Ca 0.06 0.08 0.40 0.00 -0.84 0.00 0.00 61.79 61.49 3h1k h SER 42 Cb 0.65 0.24 -0.16 0.00 0.14 0.00 0.00 62.40 63.27 3h1k h SER 42 CO -0.48 -0.09 0.62 0.77 -1.14 0.00 0.00 176.83 176.52 3h1k h SER 43 N -0.05 0.35 0.22 3.07 4.64 -1.12 -2.86 113.55 117.80 3h1k h SER 43 Ca 0.03 0.21 -0.35 0.00 -0.47 0.00 0.00 61.79 61.22 3h1k h SER 43 Cb 0.14 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3h1k h SER 43 CO -0.22 -0.30 -1.88 1.56 -0.87 0.00 0.00 176.83 175.12 3h1k h GLN 44 N 0.10 0.24 -0.75 4.77 1.08 -1.32 -3.41 115.11 115.83 3h1k h GLN 44 Ca 0.82 -0.40 0.12 0.00 -1.45 0.00 0.00 58.65 57.74 3h1k h GLN 44 Cb 2.19 0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 29.64 3h1k h GLN 44 CO -0.64 1.10 -0.26 0.28 -0.95 0.00 0.00 178.83 178.35 3h1k n VAL 45 N -3.42 -0.37 0.98 -0.54 0.31 -0.91 0.11 118.33 114.49 3h1k n VAL 45 Ca -0.27 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.79 3h1k n VAL 45 Cb 1.05 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3h1k n VAL 45 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3h1k n PHE 46 N -5.13 0.00 0.00 3.52 3.72 -1.26 -1.82 117.46 116.50 3h1k n PHE 46 Ca 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.46 3h1k n PHE 46 Cb 0.32 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3h1k n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3h1k n LYS 47 N -0.46 0.16 0.00 -1.08 5.02 0.30 -4.78 118.16 117.31 3h1k n LYS 47 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3h1k n LYS 47 Cb 0.01 -0.79 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3h1k n LYS 47 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h1k n VAL 48 N -3.77 0.00 -0.28 -0.18 0.31 -0.88 -4.32 118.33 109.21 3h1k n VAL 48 Ca -0.05 1.10 -0.07 0.00 -0.01 0.00 0.00 64.34 65.31 3h1k n VAL 48 Cb 0.18 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 30.99 3h1k n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1k n ALA 49 N -1.82 -0.43 -0.09 3.52 0.00 -0.75 -3.31 120.51 117.63 3h1k n ALA 49 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3h1k n ALA 49 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3h1k n ALA 49 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h1k n PRO 50 N -4.70 0.00 -0.34 0.00 -0.02 -1.26 -0.19 135.00 128.49 3h1k n PRO 50 Ca 0.01 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 3h1k n PRO 50 Cb 0.17 -0.85 0.21 0.00 -0.02 0.00 0.00 33.50 33.01 3h1k n PRO 50 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1k h PRO 51 N 0.00 1.08 -0.18 0.52 0.13 -1.78 1.10 132.00 132.86 3h1k h PRO 51 Ca 0.00 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3h1k h PRO 51 Cb 0.00 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 30.85 3h1k h PRO 51 CO 0.00 0.71 -0.05 0.74 -0.23 0.00 0.00 178.00 179.18 3h1k h PHE 52 N 1.11 -0.10 -0.03 1.56 0.05 -0.96 -0.40 116.94 118.16 3h1k h PHE 52 Ca 0.41 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.22 3h1k h PHE 52 Cb 0.19 0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.21 3h1k h PHE 52 CO -0.00 -0.08 0.01 1.25 -0.18 0.00 0.00 178.31 179.31 3h1k h LEU 53 N -0.00 0.01 -0.11 1.54 5.85 0.40 -1.10 115.31 121.89 3h1k h LEU 53 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h1k h LEU 53 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3h1k h LEU 53 CO -0.19 0.01 0.14 0.61 -0.34 0.00 0.00 178.44 178.67 3h1k n GLY 54 N -1.10 -0.40 0.13 3.75 0.00 0.37 -0.75 105.19 107.19 3h1k n GLY 54 Ca -0.06 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3h1k n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k n ALA 55 N -1.40 1.19 -0.30 4.61 0.00 -0.26 -3.88 120.51 120.48 3h1k n ALA 55 Ca -0.00 -0.90 0.19 0.00 0.00 0.00 0.00 53.44 52.72 3h1k n ALA 55 Cb 0.14 -0.28 0.46 0.00 0.00 0.00 0.00 19.45 19.77 3h1k n ALA 55 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h1k h TYR 56 N -0.18 0.72 0.08 0.00 3.20 -0.35 0.28 116.97 120.72 3h1k h TYR 56 Ca -0.53 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.36 3h1k h TYR 56 Cb 1.86 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.92 3h1k h TYR 56 CO 0.03 0.13 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.58 3h1k h LEU 57 N 0.49 -0.09 -1.11 2.82 3.38 -1.64 0.37 115.31 119.53 3h1k h LEU 57 Ca 0.55 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.85 3h1k h LEU 57 Cb 1.24 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 3h1k h LEU 57 CO -0.28 -0.06 0.63 0.25 0.09 0.00 0.00 178.44 179.07 3h1k h LEU 58 N -0.11 0.48 -0.16 1.67 5.85 -1.42 0.82 115.31 122.44 3h1k h LEU 58 Ca -0.01 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3h1k h LEU 58 Cb 0.08 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3h1k h LEU 58 CO 0.02 -0.09 0.06 0.22 -0.34 0.00 0.00 178.44 178.31 3h1k h TYR 59 N 0.32 0.25 0.65 1.25 3.20 -0.33 0.63 116.97 122.94 3h1k h TYR 59 Ca 0.72 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.54 3h1k h TYR 59 Cb 1.74 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.94 3h1k h TYR 59 CO -0.01 0.32 -0.31 0.77 -1.64 0.00 0.00 178.16 177.29 3h1k h SER 60 N 0.11 -0.73 0.14 -2.11 0.02 0.26 0.18 113.55 111.42 3h1k h SER 60 Ca 0.05 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3h1k h SER 60 Cb 0.18 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3h1k h SER 60 CO -0.00 -0.46 -0.17 -0.25 -1.14 0.00 0.00 176.83 174.81 3h1k h TRP 61 N -0.97 -0.44 -0.27 3.45 7.01 0.04 0.57 115.95 125.35 3h1k h TRP 61 Ca -0.09 0.00 0.05 0.00 2.11 0.00 0.00 58.89 60.97 3h1k h TRP 61 Cb 0.69 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.85 3h1k h TRP 61 CO -0.01 -0.25 -0.44 0.78 -2.79 0.00 0.00 178.44 175.72 3h1k h GLY 62 N -0.35 -0.70 0.00 2.65 0.00 0.33 0.17 103.07 105.18 3h1k h GLY 62 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3h1k h GLY 62 CO -0.06 -0.20 0.00 2.41 0.00 0.00 0.00 176.54 178.69 3h1k n THR 63 N -5.42 0.00 -0.28 4.70 -1.04 0.62 -2.11 114.28 110.75 3h1k n THR 63 Ca -0.03 1.49 -0.01 0.00 -2.04 0.00 0.00 64.05 63.47 3h1k n THR 63 Cb 0.36 -2.49 0.03 0.00 -1.82 0.00 0.00 70.33 66.41 3h1k n THR 63 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3h1k n GLN 64 N -1.97 -0.17 0.25 -2.82 7.27 0.20 0.16 117.38 120.29 3h1k n GLN 64 Ca 0.00 1.11 0.07 0.00 0.07 0.00 0.00 57.00 58.25 3h1k n GLN 64 Cb 0.00 -1.65 0.60 0.00 2.41 0.00 0.00 30.24 31.61 3h1k n GLN 64 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3h1k h GLU 65 N 0.00 0.00 -0.07 3.69 4.57 -0.67 -2.73 114.58 119.36 3h1k h GLU 65 Ca 0.25 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3h1k h GLU 65 Cb 0.43 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3h1k h GLU 65 CO -0.72 0.06 0.03 0.35 -1.18 0.00 0.00 179.01 177.55 3h1k h PHE 66 N 0.00 0.11 -0.15 0.92 3.57 0.20 -2.79 116.94 118.81 3h1k h PHE 66 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3h1k h PHE 66 Cb 0.10 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3h1k h PHE 66 CO 0.00 0.25 -0.14 0.93 -2.23 0.00 0.00 178.31 177.12 3h1k h GLU 67 N -0.06 -0.15 -1.06 1.11 4.39 -1.32 -1.77 114.58 115.72 3h1k h GLU 67 Ca 0.02 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.02 3h1k h GLU 67 Cb 0.19 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.76 3h1k h GLU 67 CO -0.00 -0.10 0.66 -0.09 -1.16 0.00 0.00 179.01 178.32 3h1k h ARG 68 N -0.16 0.38 0.00 2.33 2.43 -1.38 0.39 114.38 118.37 3h1k h ARG 68 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3h1k h ARG 68 Cb 0.30 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3h1k h ARG 68 CO -0.25 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 3h1k n LEU 69 N -4.75 0.00 -0.07 3.80 4.77 -0.67 -2.99 117.00 117.10 3h1k n LEU 69 Ca 0.28 0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 3h1k n LEU 69 Cb 0.93 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.77 3h1k n LEU 69 CO 0.21 -0.03 -1.05 0.29 -1.33 0.00 0.00 177.39 175.48 3h1k n LYS 70 N -1.13 0.68 -1.73 3.23 5.02 0.13 -4.92 118.16 119.44 3h1k n LYS 70 Ca 0.15 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 3h1k n LYS 70 Cb 0.13 -1.62 0.03 0.00 -0.02 0.00 0.00 35.03 33.55 3h1k n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h1k n ARG 71 N -3.61 1.81 -2.67 1.97 5.12 -1.16 -4.96 116.66 113.16 3h1k n ARG 71 Ca -0.40 0.66 -0.32 0.00 -1.93 0.00 0.00 57.85 55.86 3h1k n ARG 71 Cb 0.96 -2.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.70 3h1k n ARG 71 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3h1k s LYS 72 N -2.66 3.91 -0.49 5.56 -2.85 -1.26 -5.00 119.74 116.95 3h1k s LYS 72 Ca 0.68 0.76 -0.16 0.00 -1.00 0.00 0.00 55.97 56.25 3h1k s LYS 72 Cb -0.44 -2.26 0.07 0.00 -2.06 0.00 0.00 37.83 33.14 3h1k s LYS 72 CO 0.52 -0.12 0.46 1.21 0.10 0.00 0.00 175.35 177.52 3h1k s ASN 73 N -2.95 6.17 0.50 0.03 2.47 -1.26 -4.94 114.94 114.95 3h1k s ASN 73 Ca 0.56 -1.26 0.09 0.00 0.42 0.00 0.00 52.86 52.67 3h1k s ASN 73 Cb -0.10 -2.21 0.48 0.00 -1.45 0.00 0.00 41.25 37.97 3h1k s ASN 73 CO 0.28 -0.72 1.18 1.55 -3.72 0.00 0.00 177.10 175.67 3h1k h PRO 74 N 8.83 0.00 0.00 0.43 0.13 -1.96 0.25 132.00 139.68 3h1k h PRO 74 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h1k h PRO 74 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3h1k h PRO 74 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 3h1k h ALA 75 N 0.53 1.00 0.00 -0.56 0.00 -2.02 -2.48 119.26 115.72 3h1k h ALA 75 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3h1k h ALA 75 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h1k h ALA 75 CO 0.00 0.00 -0.44 -0.44 0.00 0.00 0.00 179.25 178.37 3h1k h ASP 76 N 0.00 0.00 -2.29 0.00 3.32 -0.91 -3.34 116.42 113.20 3h1k h ASP 76 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3h1k h ASP 76 Cb 0.71 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.87 3h1k h ASP 76 CO 0.00 0.44 -0.36 -1.22 -1.72 0.00 0.00 179.24 176.38 3h1k n TYR 77 N -3.62 3.71 0.18 4.55 0.53 -0.94 -4.70 117.16 116.88 3h1k n TYR 77 Ca -0.01 -3.80 0.02 0.00 -1.02 0.00 0.00 57.90 53.09 3h1k n TYR 77 Cb 0.53 -0.63 0.01 0.00 -1.03 0.00 0.00 39.34 38.22 3h1k n TYR 77 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3h1k n GLU 78 N 0.17 1.32 -2.76 -0.72 1.02 -1.24 -4.70 120.64 113.73 3h1k n GLU 78 Ca 0.32 -0.54 -0.03 0.00 -0.02 0.00 0.00 57.16 56.89 3h1k n GLU 78 Cb 0.38 -0.97 0.07 0.00 -0.02 0.00 0.00 31.44 30.90 3h1k n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h1k n ASN 79 N -0.13 0.70 -1.90 1.62 4.13 -1.26 -4.87 115.26 113.54 3h1k n ASN 79 Ca 0.02 -2.25 0.03 0.00 1.68 0.00 0.00 54.58 54.06 3h1k n ASN 79 Cb 0.09 -0.15 0.37 0.00 -1.54 0.00 0.00 39.78 38.55 3h1k n ASN 79 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3h1k n ASP 80 N -0.65 5.38 0.00 6.41 8.00 -1.26 -5.24 116.55 129.18 3h1k n ASP 80 Ca 0.02 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.47 3h1k n ASP 80 Cb 0.82 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3h1k n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81