#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 -2.24 -2.07 0.03 6.02 -1.26 -4.29 117.38 113.57 1ntr n GLN 2 Ca 0.00 -1.60 -0.00 0.00 -0.01 0.00 0.00 57.00 55.39 1ntr n GLN 2 Cb 0.00 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1ntr n GLN 2 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ntr n ARG 3 N -4.04 -1.64 -3.49 -1.09 1.74 -1.26 -5.03 116.66 101.85 1ntr n ARG 3 Ca 0.13 1.58 0.01 0.00 -0.77 0.00 0.00 57.85 58.80 1ntr n ARG 3 Cb 0.50 -3.07 -0.04 0.00 -1.02 0.00 0.00 32.46 28.83 1ntr n ARG 3 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ntr s GLY 4 N -0.78 -0.44 -0.72 -0.13 0.00 -1.26 -4.81 107.32 99.17 1ntr s GLY 4 Ca 0.00 2.72 -0.10 0.00 0.00 0.00 0.00 44.72 47.34 1ntr s GLY 4 CO 0.37 3.18 0.61 -0.42 0.00 0.00 0.00 173.10 176.85 1ntr s ILE 5 N 2.66 4.83 -0.21 0.90 1.01 -1.26 -1.23 121.20 127.91 1ntr s ILE 5 Ca -0.03 -2.57 -0.07 0.00 0.00 0.00 0.00 60.65 57.98 1ntr s ILE 5 Cb -0.09 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1ntr s ILE 5 CO -0.18 -0.95 0.05 0.54 0.00 0.00 0.00 174.94 174.39 1ntr s VAL 6 N 0.21 4.40 -0.82 2.92 0.11 -0.95 -1.79 120.40 124.48 1ntr s VAL 6 Ca 0.16 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1ntr s VAL 6 Cb -0.16 -3.00 0.22 0.00 -1.53 0.00 0.00 36.38 31.91 1ntr s VAL 6 CO -0.06 0.41 0.75 0.86 -3.33 0.00 0.00 175.10 173.74 1ntr s TRP 7 N 0.91 3.75 -0.39 1.54 -0.11 -0.53 -2.13 118.94 121.98 1ntr s TRP 7 Ca 0.03 -2.04 -0.29 0.00 1.22 0.00 0.00 56.10 55.02 1ntr s TRP 7 Cb -0.14 -3.78 0.02 0.00 -1.50 0.00 0.00 33.47 28.07 1ntr s TRP 7 CO 0.02 -0.98 1.11 0.08 -4.62 0.00 0.00 176.95 172.56 1ntr s VAL 8 N 0.14 4.36 -0.70 5.86 1.01 0.32 -2.61 120.40 128.78 1ntr s VAL 8 Ca 0.18 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.44 1ntr s VAL 8 Cb -0.11 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 31.86 1ntr s VAL 8 CO -0.09 -0.72 0.97 0.54 0.00 0.00 0.00 175.10 175.81 1ntr s VAL 9 N 4.04 4.43 -0.23 2.92 0.11 -1.07 -1.75 120.40 128.84 1ntr s VAL 9 Ca 0.47 -0.62 -0.16 0.00 -2.93 0.00 0.00 61.98 58.74 1ntr s VAL 9 Cb -0.10 -4.69 0.07 0.00 -1.53 0.00 0.00 36.38 30.13 1ntr s VAL 9 CO 0.23 -1.44 0.58 -0.62 -3.33 0.00 0.00 175.10 170.52 1ntr s ASP 10 N 3.69 -0.73 0.00 3.54 -1.08 0.48 -1.95 116.67 120.61 1ntr s ASP 10 Ca 0.23 1.25 0.00 0.00 -0.52 0.00 0.00 52.55 53.51 1ntr s ASP 10 Cb -0.15 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.47 1ntr s ASP 10 CO 0.06 -0.22 0.00 -0.67 0.52 0.00 0.00 175.17 174.87 1ntr n ASP 11 N 3.80 0.00 -3.73 -0.34 -0.08 -1.22 -4.30 116.55 110.68 1ntr n ASP 11 Ca -0.19 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 52.92 1ntr n ASP 11 Cb 0.57 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.13 1ntr n ASP 11 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ntr n ASP 12 N 0.20 -2.71 0.00 1.67 5.75 -0.72 -1.07 116.55 119.68 1ntr n ASP 12 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 1ntr n ASP 12 Cb 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1ntr n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ntr n SER 13 N 0.29 0.00 -0.10 -1.12 2.88 -1.26 -3.92 113.62 110.38 1ntr n SER 13 Ca 0.03 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.38 1ntr n SER 13 Cb 0.33 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 1ntr n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ntr n SER 14 N 3.98 2.01 -0.03 -3.46 7.64 -1.23 -3.91 113.62 118.62 1ntr n SER 14 Ca 0.00 -0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.74 1ntr n SER 14 Cb 0.00 -0.50 0.12 0.00 -1.01 0.00 0.00 64.21 62.82 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ntr h ILE 15 N 0.01 1.28 -0.72 0.44 1.08 -1.22 -2.26 117.51 116.12 1ntr h ILE 15 Ca -0.55 -1.41 -0.00 0.00 -0.39 0.00 0.00 64.86 62.50 1ntr h ILE 15 Cb 1.93 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 37.01 1ntr h ILE 15 CO -0.06 0.46 0.43 -0.09 -0.69 0.00 0.00 178.15 178.20 1ntr h ARG 16 N 0.54 0.99 0.80 2.37 2.43 -1.76 -2.64 114.38 117.11 1ntr h ARG 16 Ca 0.07 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1ntr h ARG 16 Cb 0.79 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1ntr h ARG 16 CO 0.06 0.70 -0.38 2.35 -1.51 0.00 0.00 179.97 181.19 1ntr h TRP 17 N 0.99 -1.00 -0.15 2.20 7.01 -1.60 -0.36 115.95 123.04 1ntr h TRP 17 Ca 0.26 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.25 1ntr h TRP 17 Cb -0.03 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1ntr h TRP 17 CO -0.01 -0.62 -0.09 0.28 -2.79 0.00 0.00 178.44 175.21 1ntr n VAL 18 N -4.92 -0.10 0.00 2.65 0.31 -0.88 -0.02 118.33 115.37 1ntr n VAL 18 Ca -0.13 1.48 0.00 0.00 -0.01 0.00 0.00 64.34 65.68 1ntr n VAL 18 Cb 0.42 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.27 0.00 -0.19 7.52 4.77 -1.01 -2.63 117.00 122.19 1ntr n LEU 19 Ca 0.00 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1ntr n LEU 19 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1ntr n LEU 19 CO -0.02 0.00 0.39 1.21 -1.33 0.00 0.00 177.39 177.64 1ntr n GLU 20 N -0.51 -0.20 -0.33 3.23 2.13 -0.15 0.15 120.64 124.96 1ntr n GLU 20 Ca 0.00 1.04 0.23 0.00 0.66 0.00 0.00 57.16 59.08 1ntr n GLU 20 Cb 0.00 -1.53 0.43 0.00 0.27 0.00 0.00 31.44 30.60 1ntr n GLU 20 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1ntr n ARG 21 N -4.05 -0.07 -0.07 5.31 -4.01 0.98 0.21 116.66 114.95 1ntr n ARG 21 Ca 0.01 1.43 -0.15 0.00 -1.04 0.00 0.00 57.85 58.10 1ntr n ARG 21 Cb 0.12 -2.40 -0.04 0.00 -3.04 0.00 0.00 32.46 27.10 1ntr n ARG 21 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ntr h ALA 22 N 1.98 0.47 0.00 2.89 0.00 -0.05 -2.58 119.26 121.96 1ntr h ALA 22 Ca 0.71 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ntr h ALA 22 Cb 1.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ntr h ALA 22 CO -0.85 0.68 0.00 -0.11 0.00 0.00 0.00 179.25 178.97 1ntr n LEU 23 N -4.00 0.00 0.09 0.00 7.94 0.56 -2.41 117.00 119.19 1ntr n LEU 23 Ca -0.05 0.31 -0.14 0.00 -1.11 0.00 0.00 56.01 55.03 1ntr n LEU 23 Cb 0.64 -0.31 -0.12 0.00 0.53 0.00 0.00 43.42 44.17 1ntr n LEU 23 CO 0.51 -0.16 0.03 0.00 -1.11 0.00 0.00 177.39 176.65 1ntr h ALA 24 N 2.67 0.19 0.00 1.96 0.00 0.13 -2.16 119.26 122.06 1ntr h ALA 24 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 54.91 53.99 1ntr h ALA 24 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ntr h ALA 24 CO 0.00 1.00 -0.27 0.78 0.00 0.00 0.00 179.25 180.76 1ntr h GLY 25 N 1.83 0.00 -1.16 0.00 0.00 -1.57 -1.42 103.07 100.74 1ntr h GLY 25 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ntr h GLY 25 CO 0.18 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.72 1ntr n ALA 26 N -2.39 2.51 -3.20 3.60 0.00 -1.20 -4.98 120.51 114.86 1ntr n ALA 26 Ca -0.02 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.74 1ntr n ALA 26 Cb 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ntr n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ntr n GLY 27 N 1.25 -1.19 3.39 0.00 0.00 -0.54 -4.67 105.19 103.44 1ntr n GLY 27 Ca 0.17 0.67 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 1ntr n GLY 27 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ntr n LEU 28 N -1.61 0.00 -4.29 0.99 7.94 -0.84 -3.98 117.00 115.21 1ntr n LEU 28 Ca -0.05 -3.22 -0.44 0.00 -1.11 0.00 0.00 56.01 51.19 1ntr n LEU 28 Cb 0.54 1.29 -0.02 0.00 0.53 0.00 0.00 43.42 45.76 1ntr n LEU 28 CO 0.54 -0.51 0.55 -0.89 -1.11 0.00 0.00 177.39 175.98 1ntr s THR 29 N -3.22 5.52 -0.87 1.96 2.01 -0.36 -4.84 115.64 115.83 1ntr s THR 29 Ca 0.28 -3.10 -0.17 0.00 0.31 0.00 0.00 61.69 59.00 1ntr s THR 29 Cb 0.01 -4.37 0.16 0.00 0.01 0.00 0.00 72.50 68.31 1ntr s THR 29 CO 0.20 -1.10 0.98 0.00 -0.69 0.00 0.00 174.62 174.02 1ntr s THR 31 N 1.92 5.32 -0.10 0.00 2.01 -0.90 -4.60 115.64 119.29 1ntr s THR 31 Ca 0.27 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.65 1ntr s THR 31 Cb -0.08 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.94 1ntr s THR 31 CO -0.08 0.58 0.24 0.42 -0.69 0.00 0.00 174.62 175.09 1ntr s THR 32 N -0.85 -0.02 0.00 -0.82 -4.23 -1.26 -0.52 115.64 107.94 1ntr s THR 32 Ca 0.18 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1ntr s THR 32 Cb -0.14 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1ntr s THR 32 CO 0.07 0.03 0.00 0.49 -0.54 0.00 0.00 174.62 174.67 1ntr n PHE 33 N 3.65 0.00 0.00 3.99 3.01 -0.71 -4.78 117.46 122.62 1ntr n PHE 33 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1ntr n PHE 33 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1ntr n PHE 33 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1ntr n GLU 34 N 0.00 2.59 -4.33 -1.08 0.28 -1.26 -0.39 120.64 116.44 1ntr n GLU 34 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 1ntr n GLU 34 Cb 0.00 -0.95 -0.15 0.00 1.43 0.00 0.00 31.44 31.76 1ntr n GLU 34 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1ntr s ASN 35 N -3.13 3.64 0.43 -1.84 -0.87 -1.26 -3.46 114.94 108.45 1ntr s ASN 35 Ca 0.00 -0.50 0.30 0.00 -1.57 0.00 0.00 52.86 51.09 1ntr s ASN 35 Cb 0.00 -1.57 1.43 0.00 -0.02 0.00 0.00 41.25 41.09 1ntr s ASN 35 CO 0.00 0.05 1.61 1.23 -2.57 0.00 0.00 177.10 177.41 1ntr h GLY 36 N 7.58 1.44 0.78 0.66 0.00 -1.94 0.27 103.07 111.86 1ntr h GLY 36 Ca -0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1ntr h GLY 36 CO 0.59 -0.47 -0.37 -0.57 0.00 0.00 0.00 176.54 175.72 1ntr h ASN 37 N 0.06 -0.89 -0.78 0.19 -0.73 -1.93 -1.49 115.58 110.02 1ntr h ASN 37 Ca 0.84 0.03 0.15 0.00 1.87 0.00 0.00 56.30 59.19 1ntr h ASN 37 Cb 2.60 0.23 -0.14 0.00 0.27 0.00 0.00 38.32 41.28 1ntr h ASN 37 CO -0.47 -0.58 -0.22 1.21 -0.37 0.00 0.00 177.43 177.00 1ntr n GLU 38 N -5.13 -0.10 -0.14 6.67 4.07 0.91 0.20 120.64 127.12 1ntr n GLU 38 Ca -0.13 1.21 -0.09 0.00 -0.06 0.00 0.00 57.16 58.09 1ntr n GLU 38 Cb 0.41 -1.80 -0.01 0.00 -0.06 0.00 0.00 31.44 29.98 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 1.21 0.00 6.31 2.07 -1.37 -0.98 116.25 123.49 1ntr h VAL 39 Ca 0.35 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ntr h VAL 39 Cb 0.54 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ntr h VAL 39 CO -0.79 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.21 1ntr n LEU 40 N -4.62 0.00 -0.03 2.57 4.32 0.52 -1.73 117.00 118.03 1ntr n LEU 40 Ca -0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 1ntr n LEU 40 Cb 0.16 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.82 1ntr n LEU 40 CO 0.37 0.00 -0.82 0.00 -1.22 0.00 0.00 177.39 175.72 1ntr n ALA 41 N -0.78 2.32 -0.09 -1.18 0.00 0.32 -4.31 120.51 116.78 1ntr n ALA 41 Ca 0.13 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1ntr n ALA 41 Cb 0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1ntr n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ntr n ALA 42 N -2.28 1.44 0.27 0.00 0.00 -0.69 -4.05 120.51 115.19 1ntr n ALA 42 Ca -0.11 -1.14 0.07 0.00 0.00 0.00 0.00 53.44 52.26 1ntr n ALA 42 Cb 0.66 -0.30 0.35 0.00 0.00 0.00 0.00 19.45 20.15 1ntr n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 43 N -2.97 0.31 -0.63 0.00 7.99 -0.70 -3.12 117.00 117.88 1ntr n LEU 43 Ca -0.33 0.61 0.49 0.00 -0.01 0.00 0.00 56.01 56.76 1ntr n LEU 43 Cb 1.10 -0.60 0.78 0.00 -0.11 0.00 0.00 43.42 44.59 1ntr n LEU 43 CO 0.39 -0.56 1.42 0.00 -1.51 0.00 0.00 177.39 177.13 1ntr h ALA 44 N 2.20 3.57 0.19 -1.18 0.00 -1.75 0.23 119.26 122.50 1ntr h ALA 44 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ntr h ALA 44 Cb 0.16 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ntr h ALA 44 CO 0.00 -2.16 -0.09 0.66 0.00 0.00 0.00 179.25 177.66 1ntr h SER 45 N 0.01 -0.21 -3.77 0.00 4.64 -1.87 -3.49 113.55 108.85 1ntr h SER 45 Ca 0.91 -0.27 0.19 0.00 -0.47 0.00 0.00 61.79 62.15 1ntr h SER 45 Cb 3.47 0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 65.38 1ntr h SER 45 CO -0.14 0.34 0.77 -0.54 -0.87 0.00 0.00 176.83 176.39 1ntr s LYS 46 N -3.11 0.32 0.52 4.77 -0.14 0.80 -5.07 119.74 117.82 1ntr s LYS 46 Ca -0.11 0.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.56 1ntr s LYS 46 Cb 0.00 0.15 0.04 0.00 -1.68 0.00 0.00 37.83 36.34 1ntr s LYS 46 CO 0.38 -0.11 0.73 0.95 -0.76 0.00 0.00 175.35 176.54 1ntr s THR 47 N -1.47 2.70 0.02 2.17 -4.23 -1.26 -4.75 115.64 108.82 1ntr s THR 47 Ca 0.05 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1ntr s THR 47 Cb -0.01 -2.92 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 1ntr s THR 47 CO -0.04 0.00 -0.00 -0.81 -0.54 0.00 0.00 174.62 173.23 1ntr n PRO 48 N -2.22 0.00 0.00 3.99 -0.04 -1.26 -5.09 135.00 130.38 1ntr n PRO 48 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ntr n PRO 48 Cb 0.60 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 -2.76 0.00 -3.91 3.54 9.92 -0.74 -4.88 116.55 117.73 1ntr n ASP 49 Ca -0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1ntr n ASP 49 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.16 0.12 -0.12 2.53 1.01 -0.75 -4.55 120.40 118.47 1ntr s VAL 50 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1ntr s VAL 50 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 1ntr s VAL 50 CO 0.00 -0.03 0.01 -0.22 0.00 0.00 0.00 175.10 174.86 1ntr s LEU 51 N -0.22 3.61 0.16 3.92 1.98 -1.10 -1.45 118.68 125.59 1ntr s LEU 51 Ca -0.01 0.10 0.09 0.00 -2.89 0.00 0.00 54.13 51.42 1ntr s LEU 51 Cb -0.02 -1.86 -0.04 0.00 0.66 0.00 0.00 46.19 44.93 1ntr s LEU 51 CO -0.00 0.30 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.85 1ntr s LEU 52 N -0.40 2.79 -0.16 -0.68 1.43 -1.07 -0.53 118.68 120.06 1ntr s LEU 52 Ca 0.08 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1ntr s LEU 52 Cb -0.12 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1ntr s LEU 52 CO 0.02 0.13 -0.12 -0.55 0.23 0.00 0.00 176.35 176.06 1ntr s SER 53 N -2.55 3.90 0.65 2.29 0.15 -0.37 -2.60 113.70 115.17 1ntr s SER 53 Ca 0.22 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1ntr s SER 53 Cb -0.09 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1ntr s SER 53 CO 0.12 0.09 0.00 -0.90 1.20 0.00 0.00 173.24 173.76 1ntr n ASP 54 N 4.01 -1.01 -0.93 5.45 5.68 -0.82 -2.65 116.55 126.29 1ntr n ASP 54 Ca -0.19 -0.15 -0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1ntr n ASP 54 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ntr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ntr n ILE 55 N -2.07 0.00 -0.52 2.12 3.06 -1.26 -4.49 119.36 116.20 1ntr n ILE 55 Ca 0.00 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1ntr n ILE 55 Cb 0.00 0.22 0.00 0.00 0.54 0.00 0.00 39.64 40.40 1ntr n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1ntr n ARG 56 N -0.03 0.84 -1.62 9.51 0.00 -1.26 -4.25 116.66 119.85 1ntr n ARG 56 Ca -0.01 -0.75 -0.62 0.00 -0.00 0.00 0.00 57.85 56.46 1ntr n ARG 56 Cb 0.37 -0.74 -0.09 0.00 0.00 0.00 0.00 32.46 32.00 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1ntr n MET 57 N -0.17 0.39 -1.64 -0.14 2.81 -1.26 -4.80 117.12 112.31 1ntr n MET 57 Ca 0.00 0.14 -0.40 0.00 -1.81 0.00 0.00 57.70 55.63 1ntr n MET 57 Cb 0.30 -1.73 0.03 0.00 -0.71 0.00 0.00 33.22 31.11 1ntr n MET 57 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1ntr n PRO 58 N 5.35 1.33 -1.99 0.03 -0.04 -1.26 -2.20 135.00 136.23 1ntr n PRO 58 Ca 0.35 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.27 1ntr n PRO 58 Cb 0.02 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 1ntr n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ntr n GLY 59 N 1.11 -4.16 3.37 0.55 0.00 -1.26 -4.57 105.19 100.23 1ntr n GLY 59 Ca 0.10 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.54 1ntr n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ntr n MET 60 N 0.86 -6.50 -1.60 1.61 0.00 -1.26 -4.89 117.12 105.34 1ntr n MET 60 Ca -0.19 0.83 -0.41 0.00 -0.00 0.00 0.00 57.70 57.93 1ntr n MET 60 Cb 0.29 -5.78 0.02 0.00 0.00 0.00 0.00 33.22 27.75 1ntr n MET 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1ntr n ASP 61 N -3.06 1.03 0.00 6.12 5.75 -0.93 -4.50 116.55 120.96 1ntr n ASP 61 Ca -0.27 0.99 0.00 0.00 -0.01 0.00 0.00 54.79 55.50 1ntr n ASP 61 Cb 0.66 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1ntr n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ntr n GLY 62 N 1.24 -0.75 3.12 6.12 0.00 -1.26 -4.73 105.19 108.94 1ntr n GLY 62 Ca 0.10 0.27 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.22 0.00 0.99 4.32 -1.26 -4.32 117.00 112.51 1ntr n LEU 63 Ca 0.00 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1ntr n LEU 63 Cb 0.00 -1.84 0.00 0.00 -1.62 0.00 0.00 43.42 39.96 1ntr n LEU 63 CO 0.00 -1.67 0.39 0.00 -1.22 0.00 0.00 177.39 174.89 1ntr n ALA 64 N 1.19 -0.26 0.00 -1.18 0.00 -1.26 -4.74 120.51 114.25 1ntr n ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntr n ALA 64 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1ntr n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 65 N -1.39 0.00 0.02 0.00 4.77 -1.26 -4.77 117.00 114.36 1ntr n LEU 65 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1ntr n LEU 65 Cb 0.00 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1ntr n LEU 65 CO 0.00 0.00 0.16 -0.07 -1.33 0.00 0.00 177.39 176.15 1ntr h LEU 66 N 0.00 0.92 -1.66 2.23 -0.00 -1.90 -2.75 115.31 112.14 1ntr h LEU 66 Ca 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 57.88 57.16 1ntr h LEU 66 Cb 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.38 1ntr h LEU 66 CO 0.00 1.48 -0.20 0.07 -0.00 0.00 0.00 178.44 179.80 1ntr h LYS 67 N 0.45 0.00 0.58 1.13 2.10 -1.87 -3.01 116.57 115.95 1ntr h LYS 67 Ca -0.10 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.52 1ntr h LYS 67 Cb 1.58 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.92 1ntr h LYS 67 CO 0.19 0.20 -0.28 0.37 -2.00 0.00 0.00 179.45 177.93 1ntr h GLN 68 N 0.00 -0.74 0.00 0.07 5.75 -1.90 -2.43 115.11 115.86 1ntr h GLN 68 Ca -0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1ntr h GLN 68 Cb 0.40 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1ntr h GLN 68 CO 0.03 -0.50 0.00 -0.89 -2.65 0.00 0.00 178.83 174.82 1ntr n ILE 69 N -4.63 0.00 -0.24 2.39 5.41 -1.06 -1.24 119.36 119.98 1ntr n ILE 69 Ca -0.10 0.93 -0.11 0.00 1.00 0.00 0.00 62.75 64.48 1ntr n ILE 69 Cb 0.30 -1.33 -0.09 0.00 -0.71 0.00 0.00 39.64 37.82 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 -0.17 -0.83 0.38 6.56 -1.68 0.43 116.57 121.25 1ntr h LYS 70 Ca 0.00 0.01 0.31 0.00 -1.06 0.00 0.00 60.65 59.91 1ntr h LYS 70 Cb 0.00 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 31.55 1ntr h LYS 70 CO 0.00 -0.12 0.31 1.04 -2.06 0.00 0.00 179.45 178.62 1ntr n GLN 71 N -5.01 -0.05 -2.52 3.15 6.02 -0.38 -1.53 117.38 117.06 1ntr n GLN 71 Ca -0.01 1.17 -0.11 0.00 -0.01 0.00 0.00 57.00 58.05 1ntr n GLN 71 Cb 0.27 -2.03 0.03 0.00 1.02 0.00 0.00 30.24 29.53 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 -4.97 2.41 -3.81 -1.09 3.00 0.37 -5.07 116.66 107.49 1ntr n ARG 72 Ca 0.28 -3.77 -0.11 0.00 -0.01 0.00 0.00 57.85 54.23 1ntr n ARG 72 Cb 0.93 -1.83 -0.08 0.00 0.00 0.00 0.00 32.46 31.48 1ntr n ARG 72 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ntr s HIS 73 N -3.63 -0.02 -1.43 -1.55 3.76 0.12 -4.63 115.29 107.91 1ntr s HIS 73 Ca 0.36 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 1ntr s HIS 73 Cb 0.37 0.02 0.07 0.00 1.11 0.00 0.00 32.58 34.15 1ntr s HIS 73 CO -0.02 -0.44 0.84 -0.35 -0.85 0.00 0.00 174.74 173.92 1ntr n PRO 74 N 0.74 0.02 -1.26 8.40 -0.04 -1.26 -4.67 135.00 136.93 1ntr n PRO 74 Ca -0.19 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ntr n PRO 74 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1ntr n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ntr n MET 75 N -1.29 0.00 -3.86 0.54 2.81 -1.26 -5.11 117.12 108.95 1ntr n MET 75 Ca 0.01 0.50 -0.10 0.00 -1.81 0.00 0.00 57.70 56.30 1ntr n MET 75 Cb 0.01 -0.76 -0.08 0.00 -0.71 0.00 0.00 33.22 31.68 1ntr n MET 75 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1ntr s LEU 76 N 0.00 1.46 0.04 4.03 2.34 -1.26 -5.10 118.68 120.19 1ntr s LEU 76 Ca 0.00 -0.47 -0.38 0.00 0.06 0.00 0.00 54.13 53.34 1ntr s LEU 76 Cb 0.00 0.92 -0.19 0.00 -0.56 0.00 0.00 46.19 46.36 1ntr s LEU 76 CO 0.00 -0.59 1.15 -0.81 -1.06 0.00 0.00 176.35 175.03 1ntr n PRO 77 N 0.51 0.43 -4.69 1.48 -0.04 -1.26 -4.74 135.00 126.69 1ntr n PRO 77 Ca -0.18 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 1ntr n PRO 77 Cb 0.60 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 1ntr n PRO 77 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ntr s VAL 78 N 0.12 0.94 0.25 0.52 -7.23 -1.02 -2.71 120.40 111.28 1ntr s VAL 78 Ca 0.87 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.94 1ntr s VAL 78 Cb -1.14 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 1ntr s VAL 78 CO 0.53 0.00 0.43 -0.51 -0.31 0.00 0.00 175.10 175.25 1ntr s ILE 79 N -2.98 0.00 -0.27 -0.62 2.07 0.31 -4.23 121.20 115.47 1ntr s ILE 79 Ca 0.11 -1.51 -0.23 0.00 -1.41 0.00 0.00 60.65 57.61 1ntr s ILE 79 Cb 0.02 -2.31 0.08 0.00 0.13 0.00 0.00 42.46 40.37 1ntr s ILE 79 CO 0.06 0.00 0.74 -0.51 -1.91 0.00 0.00 174.94 173.32 1ntr s ILE 80 N -3.89 0.00 0.04 2.00 2.07 -1.26 -1.24 121.20 118.92 1ntr s ILE 80 Ca 0.26 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.26 1ntr s ILE 80 Cb 0.00 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1ntr s ILE 80 CO 0.11 0.00 0.72 -0.04 -1.91 0.00 0.00 174.94 173.81 1ntr s MET 81 N 0.64 4.45 0.51 3.50 -1.94 -1.08 -2.53 119.30 122.84 1ntr s MET 81 Ca -0.02 0.97 -0.20 0.00 -1.71 0.00 0.00 55.69 54.73 1ntr s MET 81 Cb -0.05 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.37 1ntr s MET 81 CO -0.04 0.33 1.08 0.95 -0.01 0.00 0.00 175.02 177.33 1ntr s THR 82 N -0.17 3.49 0.00 2.05 -4.23 -0.85 -4.68 115.64 111.25 1ntr s THR 82 Ca 0.36 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1ntr s THR 82 Cb -0.20 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1ntr s THR 82 CO 0.21 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1ntr n ALA 83 N -1.08 0.00 -0.79 3.99 0.00 -1.26 -4.82 120.51 116.55 1ntr n ALA 83 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1ntr n ALA 83 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 -2.14 -2.83 0.00 -0.00 -1.26 -4.84 115.22 104.15 1ntr n HIS 84 Ca 0.00 1.18 -0.06 0.00 -0.00 0.00 0.00 57.72 58.84 1ntr n HIS 84 Cb 0.00 -1.96 0.01 0.00 -0.00 0.00 0.00 29.99 28.04 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 -3.14 -7.87 0.00 0.26 7.64 -1.26 -4.62 113.62 104.63 1ntr n SER 85 Ca -0.05 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1ntr n SER 85 Cb 0.36 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.43 1ntr n SER 85 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ntr n ASP 86 N 0.17 0.00 -0.51 6.43 5.75 -1.26 -4.47 116.55 122.66 1ntr n ASP 86 Ca 0.06 0.00 0.39 0.00 -0.01 0.00 0.00 54.79 55.23 1ntr n ASP 86 Cb 0.28 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 40.97 1ntr n ASP 86 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ntr n LEU 87 N 0.00 0.00 0.16 -2.12 4.77 -1.26 -0.73 117.00 117.82 1ntr n LEU 87 Ca 0.00 0.74 -0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1ntr n LEU 87 Cb 0.00 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1ntr n LEU 87 CO 0.00 -0.74 0.33 -0.78 -1.33 0.00 0.00 177.39 174.87 1ntr h ASP 88 N 0.00 -0.37 0.09 -1.43 3.58 -1.98 0.14 116.42 116.45 1ntr h ASP 88 Ca 0.69 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.15 1ntr h ASP 88 Cb 2.82 0.09 0.00 0.00 1.72 0.00 0.00 39.33 43.97 1ntr h ASP 88 CO -0.01 -0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.18 1ntr n ALA 89 N -2.36 1.12 -0.64 -0.78 0.00 0.09 -2.97 120.51 114.98 1ntr n ALA 89 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ntr n ALA 89 Cb 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ntr n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ntr n ALA 90 N -1.55 0.00 -0.48 0.00 0.00 -0.84 -4.45 120.51 113.19 1ntr n ALA 90 Ca 0.00 -0.08 0.37 0.00 0.00 0.00 0.00 53.44 53.73 1ntr n ALA 90 Cb 0.04 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.75 -0.03 -3.53 0.00 0.31 0.47 -4.21 118.33 109.59 1ntr n VAL 91 Ca 0.00 1.09 -0.21 0.00 -0.01 0.00 0.00 64.34 65.21 1ntr n VAL 91 Cb 0.00 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.10 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ntr s SER 92 N -3.97 5.04 -0.15 4.52 0.01 -1.16 -4.05 113.70 113.94 1ntr s SER 92 Ca -0.04 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1ntr s SER 92 Cb 0.19 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1ntr s SER 92 CO 0.63 -0.75 0.13 0.00 0.41 0.00 0.00 173.24 173.66 1ntr n ALA 93 N -1.63 -0.63 -3.47 1.44 0.00 -1.26 -4.00 120.51 110.96 1ntr n ALA 93 Ca 0.04 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1ntr n ALA 93 Cb 0.62 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 19.06 1ntr n ALA 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ntr n TYR 94 N -1.65 -2.37 -0.46 0.00 4.19 -1.26 -4.81 117.16 110.81 1ntr n TYR 94 Ca -0.02 0.96 0.38 0.00 3.31 0.00 0.00 57.90 62.52 1ntr n TYR 94 Cb 0.52 -5.07 0.67 0.00 0.49 0.00 0.00 39.34 35.95 1ntr n TYR 94 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 1ntr h GLN 95 N -2.11 0.10 -2.89 2.98 3.07 -1.70 -1.65 115.11 112.91 1ntr h GLN 95 Ca -0.58 -0.01 -0.75 0.00 0.09 0.00 0.00 58.65 57.40 1ntr h GLN 95 Cb 1.35 -0.02 -0.32 0.00 0.08 0.00 0.00 27.48 28.57 1ntr h GLN 95 CO 0.51 0.06 0.34 0.94 0.09 0.00 0.00 178.83 180.78 1ntr n GLN 96 N -4.51 3.72 0.02 0.06 -0.06 -1.26 -4.65 117.38 110.69 1ntr n GLN 96 Ca 0.36 -4.56 0.00 0.00 -2.00 0.00 0.00 57.00 50.79 1ntr n GLN 96 Cb 1.44 -2.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.17 1ntr n GLN 96 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ntr n GLY 97 N 1.50 -0.33 2.22 1.69 0.00 -0.62 -5.02 105.19 104.63 1ntr n GLY 97 Ca 0.26 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.60 2.11 -2.38 4.61 0.00 -1.26 -5.09 120.51 115.89 1ntr n ALA 98 Ca 0.00 -3.44 -0.19 0.00 0.00 0.00 0.00 53.44 49.81 1ntr n ALA 98 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.47 1.75 0.00 0.00 0.08 -1.26 -2.44 117.98 113.64 1ntr s PHE 99 Ca 0.40 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1ntr s PHE 99 Cb 0.35 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1ntr s PHE 99 CO -0.08 0.00 0.00 -3.47 -0.10 0.00 0.00 175.22 171.57 1ntr n ASP 100 N -0.54 1.32 -1.62 1.36 2.03 -1.26 -5.03 116.55 112.81 1ntr n ASP 100 Ca -0.04 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.26 1ntr n ASP 100 Cb 0.65 0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 41.17 1ntr n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ntr n TYR 101 N -0.96 -1.52 -4.03 -0.67 9.36 -1.26 -5.00 117.16 113.07 1ntr n TYR 101 Ca 0.00 0.90 -0.34 0.00 3.32 0.00 0.00 57.90 61.78 1ntr n TYR 101 Cb 0.13 -2.46 -0.15 0.00 -0.63 0.00 0.00 39.34 36.23 1ntr n TYR 101 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1ntr s LEU 102 N -0.20 2.58 0.06 2.98 1.02 -1.05 -5.00 118.68 119.07 1ntr s LEU 102 Ca -0.04 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.49 1ntr s LEU 102 Cb 0.00 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 1ntr s LEU 102 CO 0.11 -0.03 0.06 -2.16 0.02 0.00 0.00 176.35 174.35 1ntr s PRO 103 N 1.34 2.85 0.18 1.29 0.04 -1.26 -2.00 135.00 137.44 1ntr s PRO 103 Ca 0.04 -0.68 -0.11 0.00 0.04 0.00 0.00 61.00 60.29 1ntr s PRO 103 Cb -0.14 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1ntr s PRO 103 CO -0.09 0.58 0.52 0.15 0.04 0.00 0.00 177.00 178.20 1ntr s LYS 104 N -2.23 3.83 0.36 4.56 1.02 -1.26 -3.73 119.74 122.29 1ntr s LYS 104 Ca 0.27 0.30 -0.06 0.00 0.02 0.00 0.00 55.97 56.50 1ntr s LYS 104 Cb -0.12 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1ntr s LYS 104 CO 0.20 0.40 0.65 -1.25 -0.92 0.00 0.00 175.35 174.43 1ntr s PRO 105 N -2.45 3.65 0.28 -1.68 0.04 -1.26 -5.14 135.00 128.45 1ntr s PRO 105 Ca 0.42 0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.63 1ntr s PRO 105 Cb -0.13 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 1ntr s PRO 105 CO 0.20 0.07 0.06 -0.59 0.04 0.00 0.00 177.00 176.79 1ntr s PHE 106 N -2.28 1.73 0.66 0.56 -0.71 -1.24 -5.15 117.98 111.54 1ntr s PHE 106 Ca 0.46 -1.04 -0.06 0.00 -1.04 0.00 0.00 56.93 55.25 1ntr s PHE 106 Cb -0.10 -1.07 0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1ntr s PHE 106 CO 0.33 -0.14 0.97 0.34 -1.34 0.00 0.00 175.22 175.38 1ntr s ASP 107 N -3.39 5.11 -0.13 1.98 -1.08 -1.26 -5.05 116.67 112.86 1ntr s ASP 107 Ca 0.36 0.56 -0.11 0.00 -0.52 0.00 0.00 52.55 52.83 1ntr s ASP 107 Cb 0.08 -1.33 -0.04 0.00 -1.46 0.00 0.00 42.92 40.17 1ntr s ASP 107 CO 0.14 -1.39 -0.22 -0.38 0.52 0.00 0.00 175.17 173.83 1ntr n ILE 108 N -2.79 1.20 -0.06 4.11 2.08 -1.26 -3.84 119.36 118.79 1ntr n ILE 108 Ca 0.07 0.24 -0.08 0.00 0.56 0.00 0.00 62.75 63.54 1ntr n ILE 108 Cb 0.59 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 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 -0.82 -0.24 -0.84 4.38 3.58 -1.96 -0.27 116.42 120.24 1ntr h ASP 109 Ca 0.00 0.08 0.20 0.00 0.42 0.00 0.00 57.03 57.73 1ntr h ASP 109 Cb 0.62 0.16 -0.15 0.00 1.72 0.00 0.00 39.33 41.68 1ntr h ASP 109 CO 0.00 -0.09 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.18 1ntr h GLU 110 N -0.01 0.07 0.20 0.28 4.57 -2.00 -0.59 114.58 117.10 1ntr h GLU 110 Ca 0.12 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1ntr h GLU 110 Cb 0.19 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1ntr h GLU 110 CO -0.26 0.04 -0.10 0.00 -1.18 0.00 0.00 179.01 177.52 1ntr h ALA 111 N 1.81 -0.95 -0.76 2.92 0.00 -1.21 -2.68 119.26 118.39 1ntr h ALA 111 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ntr h ALA 111 Cb 0.86 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ntr h ALA 111 CO -0.77 -0.93 0.00 0.28 0.00 0.00 0.00 179.25 177.83 1ntr n VAL 112 N -2.81 0.00 -0.14 0.00 0.31 -0.42 -1.65 118.33 113.62 1ntr n VAL 112 Ca -0.03 1.03 -0.04 0.00 -0.01 0.00 0.00 64.34 65.29 1ntr n VAL 112 Cb 0.11 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ntr n ALA 113 N -2.15 -0.21 -0.28 3.52 0.00 -0.33 -0.59 120.51 120.47 1ntr n ALA 113 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ntr n ALA 113 Cb 0.00 0.27 0.04 0.00 0.00 0.00 0.00 19.45 19.76 1ntr n ALA 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ntr n LEU 114 N -3.73 -0.45 0.35 0.00 -0.00 -0.66 0.78 117.00 113.28 1ntr n LEU 114 Ca 0.01 1.29 -0.18 0.00 -0.00 0.00 0.00 56.01 57.13 1ntr n LEU 114 Cb 0.09 -0.31 -0.09 0.00 -0.00 0.00 0.00 43.42 43.11 1ntr n LEU 114 CO -0.05 -1.17 0.53 0.58 -0.00 0.00 0.00 177.39 177.28 1ntr h VAL 115 N 0.00 0.00 -0.89 1.96 2.07 -0.12 -1.48 116.25 117.79 1ntr h VAL 115 Ca 0.27 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.10 1ntr h VAL 115 Cb 0.45 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 1ntr h VAL 115 CO -0.74 0.00 0.25 1.21 0.02 0.00 0.00 177.57 178.31 1ntr n GLU 116 N -5.33 -0.06 0.08 1.57 0.00 0.23 0.74 120.64 117.87 1ntr n GLU 116 Ca -0.13 1.28 -0.16 0.00 0.00 0.00 0.00 57.16 58.16 1ntr n GLU 116 Cb 0.45 -2.17 -0.08 0.00 0.00 0.00 0.00 31.44 29.64 1ntr n GLU 116 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1ntr h ARG 117 N 0.00 0.44 0.23 5.31 0.11 -0.87 -3.11 114.38 116.50 1ntr h ARG 117 Ca 0.65 -0.54 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 1ntr h ARG 117 Cb 1.56 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.81 1ntr h ARG 117 CO -0.76 1.20 -0.11 0.00 0.10 0.00 0.00 179.97 180.39 1ntr h ALA 118 N 0.60 -0.90 -0.85 0.08 0.00 0.14 -2.95 119.26 115.37 1ntr h ALA 118 Ca -0.12 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.06 1ntr h ALA 118 Cb 1.73 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.49 1ntr h ALA 118 CO 0.19 -0.88 0.37 -0.89 0.00 0.00 0.00 179.25 178.04 1ntr n ILE 119 N -2.99 -0.36 -2.09 0.00 5.41 -0.35 -0.62 119.36 118.37 1ntr n ILE 119 Ca -0.04 1.76 -0.40 0.00 1.00 0.00 0.00 62.75 65.07 1ntr n ILE 119 Cb 0.12 -2.80 -0.00 0.00 -0.71 0.00 0.00 39.64 36.25 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 -4.99 7.79 0.04 4.38 7.64 -1.11 -4.33 113.62 123.04 1ntr n SER 120 Ca 0.30 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1ntr n SER 120 Cb 1.01 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.68 -0.53 -2.66 1.43 -0.00 0.21 -4.93 115.22 110.42 1ntr n HIS 121 Ca 0.59 0.09 -0.41 0.00 -0.00 0.00 0.00 57.72 58.00 1ntr n HIS 121 Cb 0.25 0.24 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 1ntr n HIS 121 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1ntr s TYR 122 N -2.00 3.77 0.00 1.57 -0.85 -1.26 -4.63 117.35 113.95 1ntr s TYR 122 Ca 0.00 1.76 0.00 0.00 -0.52 0.00 0.00 57.07 58.31 1ntr s TYR 122 Cb 0.00 -3.12 0.00 0.00 0.38 0.00 0.00 41.96 39.22 1ntr s TYR 122 CO 0.00 -0.02 0.00 0.94 -1.52 0.00 0.00 175.55 174.95 1ntr n GLN 123 N 2.29 0.00 0.00 -3.49 7.27 -1.26 -5.12 117.38 117.07 1ntr n GLN 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1ntr n GLN 123 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1ntr n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22