#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntr n GLN 2 N 0.00 -0.84 -4.46 3.17 6.02 -1.26 -4.99 117.38 115.02 1ntr n GLN 2 Ca 0.00 0.92 -0.31 0.00 -0.01 0.00 0.00 57.00 57.60 1ntr n GLN 2 Cb 0.00 -4.93 -0.11 0.00 1.02 0.00 0.00 30.24 26.22 1ntr n GLN 2 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ntr s ARG 3 N -3.06 2.31 -0.15 -1.09 3.52 -1.26 -4.85 118.95 114.37 1ntr s ARG 3 Ca 0.00 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 1ntr s ARG 3 Cb 0.00 -2.36 0.12 0.00 -1.56 0.00 0.00 34.95 31.15 1ntr s ARG 3 CO 0.00 0.56 0.96 0.20 -0.81 0.00 0.00 175.30 176.21 1ntr s GLY 4 N -1.63 -0.30 -0.40 8.12 0.00 -1.26 -5.05 107.32 106.80 1ntr s GLY 4 Ca 0.18 1.97 -0.14 0.00 0.00 0.00 0.00 44.72 46.73 1ntr s GLY 4 CO 0.09 1.06 0.27 -0.42 0.00 0.00 0.00 173.10 174.09 1ntr s ILE 5 N -1.05 5.04 -0.22 0.90 -1.09 -1.26 -2.37 121.20 121.15 1ntr s ILE 5 Ca -0.03 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 1ntr s ILE 5 Cb -0.01 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1ntr s ILE 5 CO 0.02 -0.28 -0.07 0.54 -1.23 0.00 0.00 174.94 173.93 1ntr s VAL 6 N 1.64 3.06 -0.86 2.92 0.11 -1.03 -2.30 120.40 123.94 1ntr s VAL 6 Ca 0.04 -0.67 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 1ntr s VAL 6 Cb -0.19 -2.41 0.22 0.00 -1.53 0.00 0.00 36.38 32.47 1ntr s VAL 6 CO 0.09 0.40 0.80 0.26 -3.33 0.00 0.00 175.10 173.32 1ntr s TRP 7 N 1.42 3.82 0.44 1.54 0.52 -0.87 -1.53 118.94 124.28 1ntr s TRP 7 Ca 0.05 -2.17 -0.15 0.00 0.02 0.00 0.00 56.10 53.85 1ntr s TRP 7 Cb -0.14 -3.77 -0.08 0.00 -1.15 0.00 0.00 33.47 28.32 1ntr s TRP 7 CO -0.05 -0.97 0.87 0.08 0.02 0.00 0.00 176.95 176.90 1ntr s VAL 8 N -0.10 4.61 -0.48 4.03 1.01 0.63 -2.11 120.40 127.99 1ntr s VAL 8 Ca 0.20 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 1ntr s VAL 8 Cb -0.11 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1ntr s VAL 8 CO -0.09 -0.50 0.51 -0.69 0.00 0.00 0.00 175.10 174.34 1ntr s VAL 9 N -2.37 5.03 0.78 2.92 1.01 -0.15 -2.03 120.40 125.59 1ntr s VAL 9 Ca 0.56 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1ntr s VAL 9 Cb -0.10 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1ntr s VAL 9 CO 0.26 -0.65 1.17 1.51 0.00 0.00 0.00 175.10 177.39 1ntr s ASP 10 N 2.48 3.96 -0.17 3.32 1.47 -0.22 -2.34 116.67 125.17 1ntr s ASP 10 Ca 0.11 2.23 0.15 0.00 1.18 0.00 0.00 52.55 56.23 1ntr s ASP 10 Cb -0.20 -2.57 -0.22 0.00 -0.34 0.00 0.00 42.92 39.59 1ntr s ASP 10 CO 0.11 -2.41 0.07 -0.90 0.68 0.00 0.00 175.17 172.71 1ntr n ASP 11 N -3.17 0.73 -4.52 2.11 5.68 -1.26 -4.39 116.55 111.72 1ntr n ASP 11 Ca 0.12 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.17 1ntr n ASP 11 Cb 0.51 0.95 -0.11 0.00 -1.14 0.00 0.00 41.12 41.33 1ntr n ASP 11 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ntr s ASP 12 N -5.11 3.03 0.00 -1.12 1.11 -1.26 -4.41 116.67 108.92 1ntr s ASP 12 Ca -0.09 -1.36 0.11 0.00 0.18 0.00 0.00 52.55 51.39 1ntr s ASP 12 Cb 0.05 -0.22 0.60 0.00 1.07 0.00 0.00 42.92 44.42 1ntr s ASP 12 CO 0.71 -0.52 1.18 -1.54 1.18 0.00 0.00 175.17 176.18 1ntr n SER 13 N -0.80 0.00 0.00 0.27 3.41 -1.26 -1.99 113.62 113.25 1ntr n SER 13 Ca -0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1ntr n SER 13 Cb 0.67 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1ntr n SER 13 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ntr n SER 14 N -1.16 1.76 0.10 4.04 2.88 -1.26 -4.67 113.62 115.31 1ntr n SER 14 Ca 0.07 -1.83 -0.15 0.00 -1.33 0.00 0.00 58.87 55.63 1ntr n SER 14 Cb 0.06 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.41 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1ntr h ILE 15 N 0.18 1.47 -0.10 2.46 1.08 -1.79 -2.88 117.51 117.93 1ntr h ILE 15 Ca 0.00 -2.89 0.01 0.00 -0.39 0.00 0.00 64.86 61.59 1ntr h ILE 15 Cb 0.47 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 37.02 1ntr h ILE 15 CO 0.00 0.85 0.01 -0.09 -0.69 0.00 0.00 178.15 178.23 1ntr h ARG 16 N 0.11 0.05 0.22 2.37 2.43 -1.83 -2.27 114.38 115.47 1ntr h ARG 16 Ca -0.12 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ntr h ARG 16 Cb 1.87 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.39 1ntr h ARG 16 CO 0.19 0.03 -0.29 2.35 -1.51 0.00 0.00 179.97 180.75 1ntr h TRP 17 N 0.05 -0.82 -0.37 2.20 7.01 -1.86 -2.18 115.95 119.98 1ntr h TRP 17 Ca 0.05 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1ntr h TRP 17 Cb 0.04 0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 1ntr h TRP 17 CO -0.12 -0.37 -0.22 0.28 -2.79 0.00 0.00 178.44 175.22 1ntr n VAL 18 N -4.12 -0.25 0.00 2.65 0.31 -1.09 -1.29 118.33 114.54 1ntr n VAL 18 Ca -0.06 1.65 0.00 0.00 -0.01 0.00 0.00 64.34 65.92 1ntr n VAL 18 Cb 0.25 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1ntr n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntr n LEU 19 N -3.82 0.00 -0.41 7.52 4.32 -0.87 -1.86 117.00 121.89 1ntr n LEU 19 Ca 0.01 0.54 0.32 0.00 -0.02 0.00 0.00 56.01 56.86 1ntr n LEU 19 Cb 0.10 -0.04 0.52 0.00 -1.62 0.00 0.00 43.42 42.37 1ntr n LEU 19 CO -0.06 -0.04 0.93 1.21 -1.22 0.00 0.00 177.39 178.21 1ntr n GLU 20 N -0.88 -0.01 0.24 3.23 2.13 -0.83 1.00 120.64 125.52 1ntr n GLU 20 Ca 0.00 0.81 -0.13 0.00 0.66 0.00 0.00 57.16 58.49 1ntr n GLU 20 Cb 0.00 -1.72 -0.07 0.00 0.27 0.00 0.00 31.44 29.92 1ntr n GLU 20 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ntr h ARG 21 N 0.00 -0.62 0.00 5.31 9.65 -0.43 0.11 114.38 128.40 1ntr h ARG 21 Ca 0.63 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.55 1ntr h ARG 21 Cb 2.27 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 31.00 1ntr h ARG 21 CO -0.17 -0.32 0.00 0.00 2.80 0.00 0.00 179.97 182.28 1ntr n ALA 22 N -2.59 2.03 0.13 2.80 0.00 0.28 -2.21 120.51 120.96 1ntr n ALA 22 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ntr n ALA 22 Cb 0.31 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.30 1ntr n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 23 N -1.22 0.14 -0.03 0.00 7.99 0.29 -4.04 117.00 120.13 1ntr n LEU 23 Ca 0.10 -0.07 -0.16 0.00 -0.01 0.00 0.00 56.01 55.87 1ntr n LEU 23 Cb 0.13 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.35 1ntr n LEU 23 CO 0.13 0.03 0.36 0.00 -1.51 0.00 0.00 177.39 176.41 1ntr h ALA 24 N 2.13 0.20 -0.08 -1.18 0.00 -0.29 -2.12 119.26 117.91 1ntr h ALA 24 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1ntr h ALA 24 Cb 0.93 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ntr h ALA 24 CO 0.00 0.39 -0.07 0.78 0.00 0.00 0.00 179.25 180.35 1ntr h GLY 25 N 0.12 0.12 1.98 0.00 0.00 -1.75 -1.05 103.07 102.49 1ntr h GLY 25 Ca -0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1ntr h GLY 25 CO 0.11 0.06 -0.70 0.00 0.00 0.00 0.00 176.54 176.00 1ntr h ALA 26 N 1.82 0.84 -1.28 3.60 0.00 -1.67 -3.48 119.26 119.10 1ntr h ALA 26 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ntr h ALA 26 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ntr h ALA 26 CO 0.01 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1ntr n GLY 27 N 0.48 0.57 3.59 0.00 0.00 -0.40 -5.04 105.19 104.38 1ntr n GLY 27 Ca -0.01 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1ntr n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ntr s LEU 28 N -1.28 2.04 -0.95 0.99 1.02 -1.09 -4.77 118.68 114.65 1ntr s LEU 28 Ca 0.00 -1.73 -0.12 0.00 0.02 0.00 0.00 54.13 52.30 1ntr s LEU 28 Cb 0.00 -0.21 0.24 0.00 0.02 0.00 0.00 46.19 46.24 1ntr s LEU 28 CO 0.00 -0.97 0.91 -0.89 0.02 0.00 0.00 176.35 175.42 1ntr s THR 29 N -3.11 5.78 -0.94 5.49 2.01 -1.00 -4.79 115.64 119.09 1ntr s THR 29 Ca 0.17 -2.86 -0.23 0.00 0.31 0.00 0.00 61.69 59.08 1ntr s THR 29 Cb 0.01 -4.53 0.06 0.00 0.01 0.00 0.00 72.50 68.06 1ntr s THR 29 CO 0.12 -1.09 1.33 0.00 -0.69 0.00 0.00 174.62 174.28 1ntr s THR 31 N 4.59 5.04 0.11 0.00 2.01 -0.58 -4.71 115.64 122.09 1ntr s THR 31 Ca 0.40 1.15 0.07 0.00 0.31 0.00 0.00 61.69 63.63 1ntr s THR 31 Cb -0.03 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1ntr s THR 31 CO -0.05 0.14 -0.18 0.42 -0.69 0.00 0.00 174.62 174.26 1ntr s THR 32 N 1.77 1.53 -0.09 -0.82 -4.23 -1.26 -0.27 115.64 112.27 1ntr s THR 32 Ca 0.28 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1ntr s THR 32 Cb -0.16 -1.47 0.05 0.00 1.34 0.00 0.00 72.50 72.26 1ntr s THR 32 CO 0.11 -0.18 0.15 -0.36 -0.54 0.00 0.00 174.62 173.80 1ntr s PHE 33 N -1.44 -0.15 0.56 3.99 0.08 -0.86 -4.88 117.98 115.28 1ntr s PHE 33 Ca 0.06 0.53 0.27 0.00 0.12 0.00 0.00 56.93 57.92 1ntr s PHE 33 Cb -0.09 -0.30 1.48 0.00 -0.57 0.00 0.00 43.02 43.55 1ntr s PHE 33 CO 0.04 -0.29 1.98 1.49 -0.10 0.00 0.00 175.22 178.34 1ntr h GLU 34 N 8.37 0.00 -5.15 0.44 4.57 -1.89 -0.58 114.58 120.34 1ntr h GLU 34 Ca -0.13 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.40 1ntr h GLU 34 Cb 1.12 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.47 1ntr h GLU 34 CO 0.16 0.00 -0.68 -0.80 -1.18 0.00 0.00 179.01 176.51 1ntr s ASN 35 N -5.78 4.70 0.16 1.04 0.02 -1.26 -4.61 114.94 109.20 1ntr s ASN 35 Ca -0.05 -0.22 -0.15 0.00 -1.02 0.00 0.00 52.86 51.42 1ntr s ASN 35 Cb 0.18 -1.79 0.07 0.00 0.02 0.00 0.00 41.25 39.72 1ntr s ASN 35 CO 0.64 0.08 1.78 1.23 0.02 0.00 0.00 177.10 180.84 1ntr h GLY 36 N 7.38 0.55 0.00 0.66 0.00 -1.87 -2.56 103.07 107.23 1ntr h GLY 36 Ca -0.35 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1ntr h GLY 36 CO 0.61 0.09 0.00 -2.01 0.00 0.00 0.00 176.54 175.23 1ntr n ASN 37 N -4.93 0.00 -0.28 0.19 2.85 -1.26 -1.70 115.26 110.12 1ntr n ASN 37 Ca 0.02 0.90 0.26 0.00 -0.11 0.00 0.00 54.58 55.65 1ntr n ASN 37 Cb 0.10 -0.40 0.45 0.00 1.24 0.00 0.00 39.78 41.17 1ntr n ASN 37 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ntr n GLU 38 N -2.00 -0.03 0.19 1.20 4.07 -1.18 0.48 120.64 123.36 1ntr n GLU 38 Ca 0.00 0.94 -0.17 0.00 -0.06 0.00 0.00 57.16 57.87 1ntr n GLU 38 Cb 0.00 -1.77 -0.09 0.00 -0.06 0.00 0.00 31.44 29.52 1ntr n GLU 38 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ntr h VAL 39 N 0.00 0.05 0.00 6.31 2.07 -0.90 0.23 116.25 124.01 1ntr h VAL 39 Ca 0.62 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.13 1ntr h VAL 39 Cb 1.82 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1ntr h VAL 39 CO -0.44 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.05 1ntr h LEU 40 N -0.84 0.00 -0.89 2.57 -0.00 0.10 0.20 115.31 116.46 1ntr h LEU 40 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 1ntr h LEU 40 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 1ntr h LEU 40 CO -0.18 0.02 -0.08 0.00 -0.00 0.00 0.00 178.44 178.20 1ntr h ALA 41 N 1.98 1.07 0.00 1.53 0.00 0.11 -1.10 119.26 122.84 1ntr h ALA 41 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ntr h ALA 41 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ntr h ALA 41 CO 0.00 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.52 1ntr h ALA 42 N 1.24 0.84 0.00 0.00 0.00 0.12 -3.12 119.26 118.34 1ntr h ALA 42 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ntr h ALA 42 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ntr h ALA 42 CO 0.03 0.00 0.15 1.25 0.00 0.00 0.00 179.25 180.68 1ntr h LEU 43 N 0.00 0.00 -1.00 0.00 7.12 0.49 -1.51 115.31 120.41 1ntr h LEU 43 Ca 0.00 0.00 0.28 0.00 0.13 0.00 0.00 57.88 58.29 1ntr h LEU 43 Cb 0.98 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 40.98 1ntr h LEU 43 CO 0.00 0.00 0.56 0.00 -0.13 0.00 0.00 178.44 178.87 1ntr h ALA 44 N 1.70 1.85 -0.85 1.25 0.00 -1.49 0.80 119.26 122.52 1ntr h ALA 44 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ntr h ALA 44 Cb 0.30 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ntr h ALA 44 CO 0.00 -0.43 0.41 1.03 0.00 0.00 0.00 179.25 180.26 1ntr h SER 45 N 0.43 1.10 -0.10 0.00 0.87 -1.55 -3.48 113.55 110.82 1ntr h SER 45 Ca 0.69 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1ntr h SER 45 Cb 1.45 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ntr h SER 45 CO -0.55 0.93 0.00 1.17 -0.53 0.00 0.00 176.83 177.85 1ntr n LYS 46 N -4.31 0.00 -0.83 2.24 4.81 0.28 -5.08 118.16 115.27 1ntr n LYS 46 Ca 0.08 0.02 -0.28 0.00 -0.87 0.00 0.00 58.31 57.26 1ntr n LYS 46 Cb 0.14 -0.03 0.22 0.00 0.02 0.00 0.00 35.03 35.37 1ntr n LYS 46 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ntr s THR 47 N 0.00 2.03 0.00 3.15 -4.23 -1.26 -5.00 115.64 110.34 1ntr s THR 47 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1ntr s THR 47 Cb 0.00 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1ntr s THR 47 CO 0.00 -0.01 0.00 -0.81 -0.54 0.00 0.00 174.62 173.26 1ntr n PRO 48 N -4.60 3.25 0.00 3.99 -0.04 -1.26 -4.96 135.00 131.38 1ntr n PRO 48 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ntr n PRO 48 Cb 0.56 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1ntr n PRO 48 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ntr n ASP 49 N -0.64 0.00 -3.59 3.54 9.92 -1.02 -4.90 116.55 119.86 1ntr n ASP 49 Ca 0.00 0.13 -0.13 0.00 -0.53 0.00 0.00 54.79 54.26 1ntr n ASP 49 Cb 0.00 -0.45 -0.06 0.00 -0.64 0.00 0.00 41.12 39.97 1ntr n ASP 49 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ntr s VAL 50 N -0.90 0.00 -0.23 2.53 1.01 -0.97 -4.78 120.40 117.06 1ntr s VAL 50 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1ntr s VAL 50 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1ntr s VAL 50 CO 0.00 0.00 0.12 -0.22 0.00 0.00 0.00 175.10 175.00 1ntr s LEU 51 N -0.33 3.93 0.27 3.92 1.98 -1.11 -2.05 118.68 125.29 1ntr s LEU 51 Ca -0.02 0.05 0.10 0.00 -2.89 0.00 0.00 54.13 51.36 1ntr s LEU 51 Cb -0.03 -2.04 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 1ntr s LEU 51 CO 0.01 0.07 -0.01 -0.22 -1.89 0.00 0.00 176.35 174.32 1ntr s LEU 52 N 1.00 3.18 -0.19 -0.68 0.20 -0.90 -1.29 118.68 120.00 1ntr s LEU 52 Ca 0.06 -0.66 -0.11 0.00 0.69 0.00 0.00 54.13 54.11 1ntr s LEU 52 Cb -0.14 -1.70 0.06 0.00 -0.43 0.00 0.00 46.19 43.99 1ntr s LEU 52 CO 0.04 -0.00 0.47 -0.44 -0.29 0.00 0.00 176.35 176.13 1ntr s SER 53 N -3.67 -0.60 0.09 3.68 0.01 -0.70 -0.98 113.70 111.52 1ntr s SER 53 Ca 0.31 1.03 -0.13 0.00 1.31 0.00 0.00 55.95 58.47 1ntr s SER 53 Cb -0.06 0.92 -0.06 0.00 0.21 0.00 0.00 66.02 67.02 1ntr s SER 53 CO 0.20 -0.20 0.46 -0.62 0.41 0.00 0.00 173.24 173.49 1ntr s ASP 54 N 1.31 6.75 -1.15 2.44 -1.08 -0.99 -1.64 116.67 122.32 1ntr s ASP 54 Ca -0.08 0.94 -0.16 0.00 -0.52 0.00 0.00 52.55 52.73 1ntr s ASP 54 Cb -0.07 -2.24 0.15 0.00 -1.46 0.00 0.00 42.92 39.30 1ntr s ASP 54 CO -0.13 0.17 1.40 -0.51 0.52 0.00 0.00 175.17 176.63 1ntr s ILE 55 N -1.36 4.83 0.00 4.11 -1.16 -1.24 -4.85 121.20 121.53 1ntr s ILE 55 Ca 0.33 -2.26 0.00 0.00 -0.51 0.00 0.00 60.65 58.21 1ntr s ILE 55 Cb -0.15 -4.92 0.00 0.00 0.61 0.00 0.00 42.46 38.00 1ntr s ILE 55 CO 0.18 -1.65 0.00 -1.14 -2.81 0.00 0.00 174.94 169.52 1ntr n ARG 56 N 6.25 0.00 -3.59 3.50 3.00 -1.26 -5.02 116.66 119.53 1ntr n ARG 56 Ca 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 58.15 1ntr n ARG 56 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.88 1ntr n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ntr s MET 57 N 0.00 0.36 0.76 -0.14 0.23 -1.26 -4.30 119.30 114.95 1ntr s MET 57 Ca 0.00 -0.09 -0.14 0.00 -1.03 0.00 0.00 55.69 54.44 1ntr s MET 57 Cb 0.00 0.17 0.06 0.00 -1.53 0.00 0.00 34.83 33.52 1ntr s MET 57 CO 0.00 -0.15 1.18 -1.25 -2.03 0.00 0.00 175.02 172.77 1ntr s PRO 58 N -2.16 1.99 0.00 3.16 0.04 -1.26 -4.03 135.00 132.74 1ntr s PRO 58 Ca 0.08 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1ntr s PRO 58 Cb -0.01 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1ntr s PRO 58 CO -0.05 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1ntr n GLY 59 N 0.12 1.20 3.00 0.56 0.00 -1.26 -5.00 105.19 103.81 1ntr n GLY 59 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1ntr n GLY 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ntr n MET 60 N -1.28 -1.99 0.00 1.61 2.81 -1.26 -4.87 117.12 112.15 1ntr n MET 60 Ca 0.00 1.31 0.00 0.00 -1.81 0.00 0.00 57.70 57.20 1ntr n MET 60 Cb 0.00 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.09 1ntr n MET 60 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ntr n ASP 61 N -3.73 0.00 0.00 7.83 8.00 -1.26 -4.76 116.55 122.64 1ntr n ASP 61 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ntr n ASP 61 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1ntr n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ntr n GLY 62 N 0.00 0.70 0.93 0.44 0.00 -1.26 -4.76 105.19 101.24 1ntr n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ntr n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ntr n LEU 63 N 0.00 0.55 -1.72 0.99 4.32 -1.26 -4.31 117.00 115.57 1ntr n LEU 63 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 1ntr n LEU 63 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ntr n LEU 63 CO 0.00 -0.07 0.02 0.00 -1.22 0.00 0.00 177.39 176.12 1ntr n ALA 64 N -2.43 -1.17 -1.73 -1.18 0.00 -1.26 -5.00 120.51 107.74 1ntr n ALA 64 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ntr n ALA 64 Cb 0.23 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1ntr n ALA 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ntr n LEU 65 N -1.44 0.00 -0.22 0.00 -0.00 -1.26 -4.82 117.00 109.26 1ntr n LEU 65 Ca -0.00 -0.61 -0.08 0.00 -0.00 0.00 0.00 56.01 55.31 1ntr n LEU 65 Cb 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.96 1ntr n LEU 65 CO 0.07 0.42 0.89 -0.07 -0.00 0.00 0.00 177.39 178.70 1ntr h LEU 66 N 0.00 1.00 -1.09 1.47 -0.00 -1.95 -0.12 115.31 114.62 1ntr h LEU 66 Ca 0.00 -0.26 -0.07 0.00 -0.00 0.00 0.00 57.88 57.55 1ntr h LEU 66 Cb 1.10 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 1ntr h LEU 66 CO 0.00 1.01 -0.32 0.50 -0.00 0.00 0.00 178.44 179.63 1ntr h LYS 67 N 0.95 0.00 0.87 1.13 3.64 -1.90 -3.10 116.57 118.16 1ntr h LYS 67 Ca 0.19 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1ntr h LYS 67 Cb 0.44 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1ntr h LYS 67 CO 0.01 0.32 -0.42 0.37 -2.27 0.00 0.00 179.45 177.46 1ntr h GLN 68 N 0.00 -1.12 -0.05 1.90 -0.00 -1.38 -2.46 115.11 112.00 1ntr h GLN 68 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1ntr h GLN 68 Cb 0.79 0.26 -0.01 0.00 0.00 0.00 0.00 27.48 28.52 1ntr h GLN 68 CO 0.04 -0.75 -0.03 -0.89 0.00 0.00 0.00 178.83 177.21 1ntr n ILE 69 N -5.59 -0.03 -0.00 2.39 -0.00 -0.59 -1.13 119.36 114.42 1ntr n ILE 69 Ca -0.15 1.37 -0.01 0.00 -0.00 0.00 0.00 62.75 63.96 1ntr n ILE 69 Cb 0.47 -1.82 -0.01 0.00 -0.00 0.00 0.00 39.64 38.28 1ntr n ILE 69 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1ntr h LYS 70 N 0.00 -0.03 -1.34 0.38 1.79 -1.65 1.96 116.57 117.68 1ntr h LYS 70 Ca 0.01 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 58.89 1ntr h LYS 70 Cb 0.02 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 1ntr h LYS 70 CO -0.04 -0.02 0.94 1.04 -1.08 0.00 0.00 179.45 180.29 1ntr n GLN 71 N -2.74 -0.01 0.00 3.15 6.02 -0.91 -3.20 117.38 119.70 1ntr n GLN 71 Ca -0.00 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 1ntr n GLN 71 Cb 0.02 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1ntr n GLN 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ntr n ARG 72 N -3.65 0.00 -1.10 -1.09 5.12 0.24 -5.01 116.66 111.17 1ntr n ARG 72 Ca 0.32 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.87 1ntr n ARG 72 Cb 1.41 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.68 1ntr n ARG 72 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1ntr n HIS 73 N -1.12 -0.45 0.00 -1.55 -0.00 0.64 -4.88 115.22 107.86 1ntr n HIS 73 Ca 0.00 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.93 1ntr n HIS 73 Cb 0.00 -1.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 1ntr n HIS 73 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1ntr n PRO 74 N 0.80 0.00 0.00 1.57 -0.04 -1.26 -4.48 135.00 131.59 1ntr n PRO 74 Ca 0.14 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1ntr n PRO 74 Cb 0.20 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ntr n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ntr n MET 75 N -1.05 0.00 -4.54 0.54 0.00 -1.26 -4.96 117.12 105.84 1ntr n MET 75 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1ntr n MET 75 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 1ntr n MET 75 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 1ntr s LEU 76 N 0.00 2.66 0.10 3.17 0.05 -1.26 -5.06 118.68 118.35 1ntr s LEU 76 Ca 0.00 -0.45 -0.21 0.00 0.05 0.00 0.00 54.13 53.52 1ntr s LEU 76 Cb 0.00 -1.54 -0.12 0.00 -2.05 0.00 0.00 46.19 42.48 1ntr s LEU 76 CO 0.00 0.23 0.44 -0.81 -0.55 0.00 0.00 176.35 175.66 1ntr n PRO 77 N 1.31 0.00 -3.79 1.48 -0.04 -1.26 -4.70 135.00 127.99 1ntr n PRO 77 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1ntr n PRO 77 Cb 0.52 -0.76 -0.16 0.00 -0.04 0.00 0.00 33.50 33.07 1ntr n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ntr s VAL 78 N -0.50 0.93 0.12 0.52 1.01 -1.08 -2.75 120.40 118.66 1ntr s VAL 78 Ca 0.48 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1ntr s VAL 78 Cb -0.68 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1ntr s VAL 78 CO 0.38 -0.33 0.50 -0.63 0.00 0.00 0.00 175.10 175.01 1ntr s ILE 79 N 1.64 4.94 -0.07 2.22 -1.09 -0.41 -4.66 121.20 123.77 1ntr s ILE 79 Ca 0.01 0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 58.99 1ntr s ILE 79 Cb -0.18 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1ntr s ILE 79 CO -0.13 0.26 0.35 -0.63 -1.23 0.00 0.00 174.94 173.56 1ntr s ILE 80 N -1.44 0.03 0.18 2.92 1.01 -1.26 -1.73 121.20 120.91 1ntr s ILE 80 Ca 0.36 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1ntr s ILE 80 Cb -0.15 -0.58 -0.07 0.00 0.01 0.00 0.00 42.46 41.67 1ntr s ILE 80 CO 0.19 -0.14 0.99 -0.04 0.00 0.00 0.00 174.94 175.94 1ntr s MET 81 N -0.65 4.73 0.64 2.79 -1.94 -0.65 -2.34 119.30 121.87 1ntr s MET 81 Ca -0.08 1.54 0.00 0.00 -1.71 0.00 0.00 55.69 55.44 1ntr s MET 81 Cb -0.04 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.49 1ntr s MET 81 CO 0.03 0.29 0.00 2.41 -0.01 0.00 0.00 175.02 177.74 1ntr n THR 82 N 2.18 0.00 -1.21 2.05 -1.04 -0.82 -3.68 114.28 111.77 1ntr n THR 82 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ntr n THR 82 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1ntr n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ntr n ALA 83 N 1.89 -2.41 -1.15 2.41 0.00 -1.26 -4.84 120.51 115.15 1ntr n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntr n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ntr n ALA 83 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ntr n HIS 84 N 0.11 0.00 -3.64 0.00 -0.00 -1.26 -4.92 115.22 105.51 1ntr n HIS 84 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 1ntr n HIS 84 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1ntr n HIS 84 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ntr n SER 85 N -0.25 -3.12 -1.39 0.26 7.64 -1.26 -3.57 113.62 111.92 1ntr n SER 85 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1ntr n SER 85 Cb 0.00 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 1ntr n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ntr n ASP 86 N -2.32 -7.38 -0.55 6.43 -0.08 -1.26 -2.89 116.55 108.50 1ntr n ASP 86 Ca 0.03 0.98 0.42 0.00 -1.51 0.00 0.00 54.79 54.71 1ntr n ASP 86 Cb 0.51 -3.47 0.66 0.00 2.34 0.00 0.00 41.12 41.16 1ntr n ASP 86 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1ntr n LEU 87 N 0.40 0.04 0.00 -2.67 -0.00 -1.24 -1.25 117.00 112.28 1ntr n LEU 87 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 56.01 56.90 1ntr n LEU 87 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1ntr n LEU 87 CO 0.00 -0.92 0.22 0.47 -0.00 0.00 0.00 177.39 177.16 1ntr n ASP 88 N -3.76 0.00 -0.24 1.96 8.00 -1.26 0.62 116.55 121.88 1ntr n ASP 88 Ca 0.36 0.43 0.21 0.00 0.71 0.00 0.00 54.79 56.50 1ntr n ASP 88 Cb 1.60 -0.01 0.54 0.00 -0.02 0.00 0.00 41.12 43.23 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ntr h ALA 89 N -1.67 2.29 -3.00 2.24 0.00 -1.04 -3.05 119.26 115.04 1ntr h ALA 89 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ntr h ALA 89 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ntr h ALA 89 CO 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.67 1ntr n ALA 90 N -2.54 0.00 0.00 0.00 0.00 0.20 -3.43 120.51 114.74 1ntr n ALA 90 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ntr n ALA 90 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1ntr n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 91 N -0.52 0.00 0.00 0.00 0.31 0.14 -3.97 118.33 114.29 1ntr n VAL 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ntr n VAL 91 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ntr n SER 92 N -2.85 0.00 -1.29 4.52 2.88 -1.22 -4.14 113.62 111.51 1ntr n SER 92 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ntr n SER 92 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1ntr n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ntr n ALA 93 N -3.00 -0.36 -3.16 -1.46 0.00 -1.25 -3.67 120.51 107.60 1ntr n ALA 93 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 1ntr n ALA 93 Cb 0.00 -1.81 0.07 0.00 0.00 0.00 0.00 19.45 17.71 1ntr n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ntr n TYR 94 N -3.63 -2.19 -2.48 0.00 4.02 -1.26 -4.83 117.16 106.79 1ntr n TYR 94 Ca -0.03 0.81 -0.34 0.00 -0.01 0.00 0.00 57.90 58.33 1ntr n TYR 94 Cb 0.54 -4.23 -0.03 0.00 -0.02 0.00 0.00 39.34 35.60 1ntr n TYR 94 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1ntr s GLN 95 N -4.54 3.77 -1.75 -0.72 1.03 -1.24 -2.37 119.66 113.83 1ntr s GLN 95 Ca 0.30 1.30 0.00 0.00 0.04 0.00 0.00 55.36 57.00 1ntr s GLN 95 Cb -0.04 -2.09 0.00 0.00 0.03 0.00 0.00 33.01 30.91 1ntr s GLN 95 CO 0.67 -0.45 0.00 0.94 -2.54 0.00 0.00 175.29 173.92 1ntr n GLN 96 N -1.13 -1.49 0.00 9.60 7.27 -1.26 -4.66 117.38 125.70 1ntr n GLN 96 Ca 0.09 0.98 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1ntr n GLN 96 Cb 0.53 -5.37 0.00 0.00 2.41 0.00 0.00 30.24 27.81 1ntr n GLN 96 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ntr n GLY 97 N -0.45 0.00 2.68 1.69 0.00 -1.14 -4.99 105.19 102.98 1ntr n GLY 97 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1ntr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntr n ALA 98 N -2.40 0.55 -3.69 4.61 0.00 -1.00 -5.00 120.51 113.58 1ntr n ALA 98 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 53.44 51.67 1ntr n ALA 98 Cb 0.16 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1ntr n ALA 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ntr s PHE 99 N -0.14 -0.17 -0.80 0.00 0.40 -1.26 -2.62 117.98 113.39 1ntr s PHE 99 Ca 0.23 0.57 0.08 0.00 -0.60 0.00 0.00 56.93 57.21 1ntr s PHE 99 Cb 0.35 -0.22 0.18 0.00 0.51 0.00 0.00 43.02 43.83 1ntr s PHE 99 CO -0.06 -0.24 1.05 -3.47 0.70 0.00 0.00 175.22 173.20 1ntr n ASP 100 N 5.05 2.37 -2.98 1.36 2.03 -1.26 -4.77 116.55 118.34 1ntr n ASP 100 Ca -0.10 -1.79 -0.01 0.00 0.52 0.00 0.00 54.79 53.41 1ntr n ASP 100 Cb 0.50 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.78 1ntr n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1ntr n TYR 101 N 0.32 -1.46 -3.40 -0.67 4.02 -1.26 -4.89 117.16 109.81 1ntr n TYR 101 Ca 0.07 0.74 -0.38 0.00 -0.01 0.00 0.00 57.90 58.32 1ntr n TYR 101 Cb 0.32 -2.04 -0.06 0.00 -0.02 0.00 0.00 39.34 37.55 1ntr n TYR 101 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1ntr s LEU 102 N -0.82 4.44 0.43 7.72 2.96 -0.99 -4.91 118.68 127.52 1ntr s LEU 102 Ca -0.04 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1ntr s LEU 102 Cb 0.00 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1ntr s LEU 102 CO 0.27 0.24 0.10 -2.16 -1.32 0.00 0.00 176.35 173.48 1ntr s PRO 103 N -0.68 1.99 0.36 0.98 0.04 -1.26 -1.94 135.00 134.48 1ntr s PRO 103 Ca 0.26 -2.22 -0.01 0.00 0.04 0.00 0.00 61.00 59.07 1ntr s PRO 103 Cb -0.17 -0.84 -0.03 0.00 0.04 0.00 0.00 34.50 33.50 1ntr s PRO 103 CO 0.14 -0.44 0.58 0.15 0.04 0.00 0.00 177.00 177.47 1ntr s LYS 104 N -3.75 3.50 0.87 4.56 3.01 -1.26 -4.34 119.74 122.34 1ntr s LYS 104 Ca 0.20 -0.24 -0.13 0.00 -1.01 0.00 0.00 55.97 54.79 1ntr s LYS 104 Cb 0.03 -2.62 0.13 0.00 -1.01 0.00 0.00 37.83 34.35 1ntr s LYS 104 CO 0.12 0.11 1.22 -1.25 0.51 0.00 0.00 175.35 176.06 1ntr s PRO 105 N -4.31 1.43 -0.22 -1.68 0.04 -1.26 -5.19 135.00 123.81 1ntr s PRO 105 Ca 0.41 -0.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.24 1ntr s PRO 105 Cb -0.10 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1ntr s PRO 105 CO 0.37 -1.93 0.57 -0.59 0.04 0.00 0.00 177.00 175.45 1ntr s PHE 106 N -3.66 -0.77 0.00 0.56 -0.71 -1.26 -5.17 117.98 106.97 1ntr s PHE 106 Ca 0.66 1.67 0.00 0.00 -1.04 0.00 0.00 56.93 58.22 1ntr s PHE 106 Cb -0.09 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1ntr s PHE 106 CO 0.51 -0.39 0.00 -3.47 -1.34 0.00 0.00 175.22 170.53 1ntr n ASP 107 N 3.71 0.00 -0.02 1.98 -0.08 -1.26 -5.02 116.55 115.86 1ntr n ASP 107 Ca -0.19 -0.24 -0.03 0.00 -1.51 0.00 0.00 54.79 52.83 1ntr n ASP 107 Cb 0.57 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.02 1ntr n ASP 107 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ntr n ILE 108 N -0.46 0.71 0.08 5.18 2.08 -1.26 -4.19 119.36 121.49 1ntr n ILE 108 Ca 0.00 0.28 -0.12 0.00 0.56 0.00 0.00 62.75 63.47 1ntr n ILE 108 Cb 0.00 -1.71 -0.06 0.00 -0.75 0.00 0.00 39.64 37.12 1ntr n ILE 108 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1ntr h ASP 109 N -0.33 -0.33 -1.12 4.38 3.58 -1.98 0.77 116.42 121.39 1ntr h ASP 109 Ca 0.00 0.04 0.37 0.00 0.42 0.00 0.00 57.03 57.86 1ntr h ASP 109 Cb 0.33 0.13 -0.14 0.00 1.72 0.00 0.00 39.33 41.37 1ntr h ASP 109 CO 0.00 -0.18 0.67 -0.08 -2.88 0.00 0.00 179.24 176.78 1ntr h GLU 110 N -0.23 0.19 0.00 0.28 4.57 -1.99 0.06 114.58 117.46 1ntr h GLU 110 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1ntr h GLU 110 Cb 0.26 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1ntr h GLU 110 CO -0.08 0.13 0.00 0.00 -1.18 0.00 0.00 179.01 177.88 1ntr n ALA 111 N -2.39 -0.13 -0.03 2.92 0.00 0.12 -1.98 120.51 119.02 1ntr n ALA 111 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 1ntr n ALA 111 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.62 1ntr n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 112 N -1.44 -0.05 -0.11 0.00 0.31 -0.35 -1.51 118.33 115.18 1ntr n VAL 112 Ca 0.00 1.36 -0.09 0.00 -0.01 0.00 0.00 64.34 65.59 1ntr n VAL 112 Cb 0.00 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.07 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ntr h ALA 113 N -0.76 -0.61 -0.76 3.52 0.00 -1.18 -0.46 119.26 119.01 1ntr h ALA 113 Ca 0.01 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1ntr h ALA 113 Cb 0.03 1.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1ntr h ALA 113 CO -0.07 -0.80 -0.20 -0.11 0.00 0.00 0.00 179.25 178.07 1ntr n LEU 114 N -4.54 -0.30 0.39 0.00 -0.00 -0.57 0.12 117.00 112.10 1ntr n LEU 114 Ca -0.02 1.32 -0.18 0.00 -0.00 0.00 0.00 56.01 57.12 1ntr n LEU 114 Cb 0.23 -0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 43.17 1ntr n LEU 114 CO -0.01 -1.26 0.63 0.58 -0.00 0.00 0.00 177.39 177.34 1ntr h VAL 115 N 0.00 0.30 -0.74 1.96 2.07 -0.20 -2.52 116.25 117.11 1ntr h VAL 115 Ca 0.36 -0.01 0.30 0.00 0.82 0.00 0.00 66.70 68.17 1ntr h VAL 115 Cb 0.55 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.50 1ntr h VAL 115 CO -0.78 0.00 0.42 1.21 0.02 0.00 0.00 177.57 178.43 1ntr n GLU 116 N -5.50 -0.04 0.02 1.57 2.13 0.32 0.15 120.64 119.30 1ntr n GLU 116 Ca -0.14 0.96 -0.12 0.00 0.66 0.00 0.00 57.16 58.51 1ntr n GLU 116 Cb 0.39 -1.74 -0.09 0.00 0.27 0.00 0.00 31.44 30.26 1ntr n GLU 116 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ntr h ARG 117 N 0.00 -0.11 -0.25 5.31 3.08 -1.03 -3.26 114.38 118.13 1ntr h ARG 117 Ca 0.60 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.71 1ntr h ARG 117 Cb 1.64 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.64 1ntr h ARG 117 CO -0.51 0.40 -0.40 0.00 -1.07 0.00 0.00 179.97 178.39 1ntr h ALA 118 N 0.10 -0.47 -0.76 0.04 0.00 0.16 0.89 119.26 119.22 1ntr h ALA 118 Ca -0.01 0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1ntr h ALA 118 Cb 0.56 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1ntr h ALA 118 CO 0.02 -0.87 0.30 -0.89 0.00 0.00 0.00 179.25 177.81 1ntr n ILE 119 N -5.42 -0.32 -1.53 0.00 5.41 -0.44 0.89 119.36 117.95 1ntr n ILE 119 Ca -0.02 1.59 -0.29 0.00 1.00 0.00 0.00 62.75 65.03 1ntr n ILE 119 Cb 0.35 -2.50 -0.06 0.00 -0.71 0.00 0.00 39.64 36.72 1ntr n ILE 119 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ntr n SER 120 N -4.82 6.85 -0.31 4.38 7.64 0.31 -4.36 113.62 123.31 1ntr n SER 120 Ca 0.26 -3.02 0.12 0.00 1.01 0.00 0.00 58.87 57.23 1ntr n SER 120 Cb 0.87 -1.32 0.17 0.00 -1.01 0.00 0.00 64.21 62.92 1ntr n SER 120 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ntr n HIS 121 N 1.56 0.00 0.48 1.43 -0.00 0.26 -4.04 115.22 114.90 1ntr n HIS 121 Ca 0.54 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.74 1ntr n HIS 121 Cb 0.51 -0.07 0.12 0.00 -0.12 0.00 0.00 29.99 30.42 1ntr n HIS 121 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1ntr n TYR 122 N -0.54 0.59 0.44 1.57 4.01 -1.26 -3.65 117.16 118.32 1ntr n TYR 122 Ca 0.10 -0.20 0.11 0.00 -0.16 0.00 0.00 57.90 57.75 1ntr n TYR 122 Cb 0.39 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 1ntr n TYR 122 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ntr n GLN 123 N 0.18 0.38 -0.25 -0.72 6.02 -1.26 -5.28 117.38 116.45 1ntr n GLN 123 Ca 0.08 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1ntr n GLN 123 Cb 0.51 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1ntr n GLN 123 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44