#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 0.00 -1.44 2.12 -0.06 -1.26 -5.16 117.38 111.58 1ntr n GLN 2 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ntr n GLN 2 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ntr n GLN 2 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1ntr n ARG 3 N 0.00 -3.98 -4.07 3.69 1.74 -1.26 -4.93 116.66 107.84 1ntr n ARG 3 Ca 0.00 3.02 -0.33 0.00 -0.77 0.00 0.00 57.85 59.77 1ntr n ARG 3 Cb 0.00 -3.55 -0.07 0.00 -1.02 0.00 0.00 32.46 27.82 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 -4.11 2.04 -0.67 -0.13 0.00 -1.26 -4.89 107.32 98.31 1ntr s GLY 4 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 43.71 1ntr s GLY 4 CO 0.00 -0.73 0.64 -0.26 0.00 0.00 0.00 173.10 172.75 1ntr s ILE 5 N -1.21 5.33 -0.39 0.90 -0.00 -1.26 -1.95 121.20 122.63 1ntr s ILE 5 Ca 0.23 -1.85 -0.20 0.00 -0.00 0.00 0.00 60.65 58.82 1ntr s ILE 5 Cb -0.12 -4.41 0.01 0.00 -0.00 0.00 0.00 42.46 37.94 1ntr s ILE 5 CO 0.14 -0.97 0.64 0.54 -0.00 0.00 0.00 174.94 175.29 1ntr s VAL 6 N 1.13 4.87 -0.54 8.37 0.11 -0.84 -1.70 120.40 131.79 1ntr s VAL 6 Ca 0.10 0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 59.44 1ntr s VAL 6 Cb -0.21 -4.12 0.14 0.00 -1.53 0.00 0.00 36.38 30.65 1ntr s VAL 6 CO -0.02 -0.41 0.47 0.26 -3.33 0.00 0.00 175.10 172.06 1ntr s TRP 7 N 2.75 3.37 0.65 1.54 0.52 -0.36 -1.69 118.94 125.72 1ntr s TRP 7 Ca 0.24 -1.61 -0.07 0.00 0.02 0.00 0.00 56.10 54.68 1ntr s TRP 7 Cb -0.14 -3.68 0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1ntr s TRP 7 CO 0.16 -1.00 0.96 0.08 0.02 0.00 0.00 176.95 177.17 1ntr s VAL 8 N 1.34 3.02 -0.16 4.03 1.01 -0.28 -1.69 120.40 127.66 1ntr s VAL 8 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1ntr s VAL 8 Cb -0.27 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1ntr s VAL 8 CO 0.00 -0.27 -0.00 -0.69 0.00 0.00 0.00 175.10 174.14 1ntr s VAL 9 N -3.13 0.75 0.00 2.92 1.01 0.36 -2.42 120.40 119.89 1ntr s VAL 9 Ca 0.57 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ntr s VAL 9 Cb -0.11 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1ntr s VAL 9 CO 0.45 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.88 1ntr n ASP 10 N 4.99 0.00 -2.69 3.32 -0.08 -0.67 -2.17 116.55 119.24 1ntr n ASP 10 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1ntr n ASP 10 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1ntr n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ntr n ASP 11 N 0.00 0.00 -2.76 1.67 2.03 -0.00 -4.09 116.55 113.39 1ntr n ASP 11 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1ntr n ASP 11 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1ntr n ASP 11 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ntr n ASP 12 N 0.53 5.66 0.00 1.67 9.92 -1.26 -4.28 116.55 128.80 1ntr n ASP 12 Ca 0.00 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.51 1ntr n ASP 12 Cb 0.00 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1ntr n ASP 12 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ntr n SER 13 N -0.43 0.00 0.00 -2.24 2.88 -1.26 -4.91 113.62 107.66 1ntr n SER 13 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ntr n SER 13 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ntr n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ntr n SER 14 N 0.00 0.00 0.01 -3.46 3.41 -1.26 -5.02 113.62 107.30 1ntr n SER 14 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1ntr n SER 14 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ntr h ILE 15 N 0.00 0.69 -0.80 -1.33 5.03 -1.91 -2.90 117.51 116.28 1ntr h ILE 15 Ca 0.00 -2.36 -0.01 0.00 -0.12 0.00 0.00 64.86 62.37 1ntr h ILE 15 Cb 0.00 2.54 -0.04 0.00 -3.03 0.00 0.00 36.82 36.29 1ntr h ILE 15 CO 0.00 0.87 0.46 -0.09 -0.68 0.00 0.00 178.15 178.71 1ntr h ARG 16 N 0.02 1.11 0.56 2.37 2.43 -1.89 -2.69 114.38 116.28 1ntr h ARG 16 Ca -0.41 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 1ntr h ARG 16 Cb 2.01 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 31.34 1ntr h ARG 16 CO 0.09 0.80 -0.27 2.35 -1.51 0.00 0.00 179.97 181.43 1ntr h TRP 17 N 1.11 -0.69 -0.39 2.20 7.01 -1.97 -1.78 115.95 121.43 1ntr h TRP 17 Ca 0.29 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.30 1ntr h TRP 17 Cb -0.01 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1ntr h TRP 17 CO -0.00 -0.43 -0.23 0.28 -2.79 0.00 0.00 178.44 175.27 1ntr n VAL 18 N -4.24 -0.27 0.00 2.65 0.31 -1.10 -0.85 118.33 114.84 1ntr n VAL 18 Ca -0.09 1.71 0.00 0.00 -0.01 0.00 0.00 64.34 65.95 1ntr n VAL 18 Cb 0.29 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 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 -3.87 0.00 -0.52 7.52 4.77 -1.02 -2.43 117.00 121.45 1ntr n LEU 19 Ca 0.01 0.68 0.39 0.00 -0.03 0.00 0.00 56.01 57.06 1ntr n LEU 19 Cb 0.10 -0.18 0.60 0.00 -2.33 0.00 0.00 43.42 41.62 1ntr n LEU 19 CO -0.06 -0.18 1.09 1.21 -1.33 0.00 0.00 177.39 178.12 1ntr n GLU 20 N -1.14 -0.00 0.20 3.23 0.00 -0.67 0.96 120.64 123.21 1ntr n GLU 20 Ca 0.00 0.80 -0.13 0.00 0.00 0.00 0.00 57.16 57.83 1ntr n GLU 20 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 31.44 29.53 1ntr n GLU 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1ntr h ARG 21 N 0.00 -0.52 0.00 5.31 9.65 -0.64 0.21 114.38 128.39 1ntr h ARG 21 Ca 0.69 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.61 1ntr h ARG 21 Cb 2.78 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 31.47 1ntr h ARG 21 CO -0.01 -0.21 0.00 0.00 2.80 0.00 0.00 179.97 182.55 1ntr n ALA 22 N -2.58 1.81 0.35 2.80 0.00 0.27 -1.98 120.51 121.18 1ntr n ALA 22 Ca -0.09 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1ntr n ALA 22 Cb 0.28 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.43 0.48 0.02 0.00 4.32 0.23 -3.91 117.00 116.71 1ntr n LEU 23 Ca 0.05 -0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 1ntr n LEU 23 Cb 0.18 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1ntr n LEU 23 CO 0.15 0.02 0.29 0.00 -1.22 0.00 0.00 177.39 176.62 1ntr h ALA 24 N 2.33 0.43 -0.13 -1.18 0.00 0.07 -2.63 119.26 118.15 1ntr h ALA 24 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 1ntr h ALA 24 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ntr h ALA 24 CO 0.00 0.73 -0.67 0.78 0.00 0.00 0.00 179.25 180.09 1ntr h GLY 25 N 0.93 0.58 2.00 0.00 0.00 -1.73 -2.70 103.07 102.16 1ntr h GLY 25 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1ntr h GLY 25 CO 0.15 0.68 0.00 0.00 0.00 0.00 0.00 176.54 177.37 1ntr n ALA 26 N -2.53 1.68 -2.43 3.60 0.00 -1.21 -4.90 120.51 114.72 1ntr n ALA 26 Ca -0.04 0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1ntr n ALA 26 Cb 0.67 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 0.03 -0.02 2.82 0.00 0.00 -1.02 -5.06 105.19 101.95 1ntr n GLY 27 Ca 0.02 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 0.00 -4.30 0.99 7.94 -1.02 -4.78 117.00 113.47 1ntr n LEU 28 Ca -0.07 -2.64 -0.46 0.00 -1.11 0.00 0.00 56.01 51.74 1ntr n LEU 28 Cb 0.56 0.90 -0.03 0.00 0.53 0.00 0.00 43.42 45.38 1ntr n LEU 28 CO 0.28 -0.41 0.37 -0.89 -1.11 0.00 0.00 177.39 175.63 1ntr s THR 29 N -2.86 5.38 -1.09 1.96 2.01 -0.82 -4.80 115.64 115.42 1ntr s THR 29 Ca 0.18 -2.50 -0.19 0.00 0.31 0.00 0.00 61.69 59.49 1ntr s THR 29 Cb 0.01 -4.34 0.10 0.00 0.01 0.00 0.00 72.50 68.28 1ntr s THR 29 CO 0.13 -1.01 1.42 0.00 -0.69 0.00 0.00 174.62 174.47 1ntr s THR 31 N 3.55 4.94 -0.23 0.00 2.01 -0.68 -4.70 115.64 120.53 1ntr s THR 31 Ca 0.43 1.05 -0.17 0.00 0.31 0.00 0.00 61.69 63.31 1ntr s THR 31 Cb -0.01 -3.83 0.06 0.00 0.01 0.00 0.00 72.50 68.74 1ntr s THR 31 CO -0.04 0.50 0.58 0.42 -0.69 0.00 0.00 174.62 175.39 1ntr s THR 32 N -0.66 -0.00 0.03 -0.82 -4.23 -1.26 -1.13 115.64 107.57 1ntr s THR 32 Ca 0.27 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1ntr s THR 32 Cb -0.18 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ntr s THR 32 CO 0.15 0.01 0.02 0.49 -0.54 0.00 0.00 174.62 174.75 1ntr n PHE 33 N 3.41 -1.63 0.55 3.99 3.01 -1.01 -4.86 117.46 120.92 1ntr n PHE 33 Ca -0.17 -0.11 0.06 0.00 1.01 0.00 0.00 57.45 58.25 1ntr n PHE 33 Cb 0.57 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 40.00 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 -0.61 2.23 -3.77 -1.08 0.28 -1.26 -0.82 120.64 115.60 1ntr n GLU 34 Ca -0.00 -0.51 -0.13 0.00 -0.16 0.00 0.00 57.16 56.36 1ntr n GLU 34 Cb 0.03 -1.13 -0.10 0.00 1.43 0.00 0.00 31.44 31.66 1ntr n GLU 34 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1ntr s ASN 35 N -1.72 -0.27 0.20 -1.84 3.84 -1.26 -4.19 114.94 109.71 1ntr s ASN 35 Ca 0.09 0.41 -0.11 0.00 0.21 0.00 0.00 52.86 53.46 1ntr s ASN 35 Cb 0.10 0.51 0.14 0.00 -0.55 0.00 0.00 41.25 41.45 1ntr s ASN 35 CO 0.36 -0.24 1.87 1.23 -2.79 0.00 0.00 177.10 177.54 1ntr h GLY 36 N 4.98 1.01 0.00 1.21 0.00 -1.87 -2.77 103.07 105.64 1ntr h GLY 36 Ca -0.28 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1ntr h GLY 36 CO 0.34 0.37 0.00 -2.01 0.00 0.00 0.00 176.54 175.24 1ntr n ASN 37 N -4.58 0.00 -0.24 0.19 4.05 -1.26 -1.65 115.26 111.77 1ntr n ASN 37 Ca 0.07 0.53 0.18 0.00 0.45 0.00 0.00 54.58 55.80 1ntr n ASN 37 Cb 0.02 -0.03 0.34 0.00 1.23 0.00 0.00 39.78 41.34 1ntr n ASN 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1ntr n GLU 38 N -0.86 -0.05 0.13 1.20 1.02 -1.23 0.74 120.64 121.60 1ntr n GLU 38 Ca 0.00 1.03 -0.13 0.00 -0.02 0.00 0.00 57.16 58.04 1ntr n GLU 38 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.59 1ntr n GLU 38 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ntr h VAL 39 N 0.00 0.34 0.00 2.62 2.07 -1.01 0.16 116.25 120.43 1ntr h VAL 39 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 1ntr h VAL 39 Cb 1.32 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ntr h VAL 39 CO -0.61 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 176.91 1ntr h LEU 40 N -0.56 0.00 -0.76 2.57 -0.00 0.12 -0.53 115.31 116.15 1ntr h LEU 40 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.82 1ntr h LEU 40 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1ntr h LEU 40 CO -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 178.44 177.90 1ntr h ALA 41 N 2.06 0.92 0.00 1.53 0.00 0.63 -3.07 119.26 121.32 1ntr h ALA 41 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ntr h ALA 41 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ntr h ALA 41 CO 0.00 0.48 -1.70 0.00 0.00 0.00 0.00 179.25 178.03 1ntr n ALA 42 N -2.27 3.31 0.96 0.00 0.00 -0.42 -4.14 120.51 117.94 1ntr n ALA 42 Ca 0.00 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.04 1ntr n ALA 42 Cb 0.55 -0.73 0.57 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.03 0.00 0.33 0.00 7.99 -0.34 -3.56 117.00 119.39 1ntr n LEU 43 Ca -0.02 0.46 0.11 0.00 -0.01 0.00 0.00 56.01 56.55 1ntr n LEU 43 Cb 0.49 -0.46 0.60 0.00 -0.11 0.00 0.00 43.42 43.94 1ntr n LEU 43 CO 0.44 -0.05 1.08 0.00 -1.51 0.00 0.00 177.39 177.35 1ntr h ALA 44 N 2.96 1.49 0.33 -1.18 0.00 -1.70 -1.03 119.26 120.12 1ntr h ALA 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ntr h ALA 44 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ntr h ALA 44 CO 0.00 -0.49 -0.16 0.66 0.00 0.00 0.00 179.25 179.26 1ntr h SER 45 N 0.00 -0.37 0.00 0.00 4.64 -1.90 -3.50 113.55 112.42 1ntr h SER 45 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1ntr h SER 45 Cb 0.99 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ntr h SER 45 CO 0.00 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 1ntr n LYS 46 N -5.08 -0.48 -3.82 4.77 4.76 -0.39 -5.12 118.16 112.79 1ntr n LYS 46 Ca -0.08 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.00 1ntr n LYS 46 Cb 0.25 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.37 1ntr n LYS 46 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1ntr s THR 47 N -3.00 5.46 0.00 -0.18 -1.32 -1.26 -4.82 115.64 110.53 1ntr s THR 47 Ca 0.00 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1ntr s THR 47 Cb 0.00 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1ntr s THR 47 CO 0.00 0.54 0.00 -0.81 -2.21 0.00 0.00 174.62 172.14 1ntr n PRO 48 N 2.64 0.00 0.00 7.08 -0.04 -1.26 -5.06 135.00 138.36 1ntr n PRO 48 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1ntr n PRO 48 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1ntr n PRO 48 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ntr n ASP 49 N 0.00 0.00 -3.76 3.54 2.03 -0.69 -4.78 116.55 112.89 1ntr n ASP 49 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1ntr n ASP 49 Cb 0.00 -0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 1ntr n ASP 49 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ntr s VAL 50 N -0.46 0.01 0.32 5.18 1.01 -1.05 -4.63 120.40 120.79 1ntr s VAL 50 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1ntr s VAL 50 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1ntr s VAL 50 CO 0.00 -0.06 0.52 -0.22 0.00 0.00 0.00 175.10 175.34 1ntr s LEU 51 N -0.15 4.06 -0.04 3.92 2.96 -1.01 -1.22 118.68 127.20 1ntr s LEU 51 Ca -0.03 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1ntr s LEU 51 Cb -0.03 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.40 1ntr s LEU 51 CO 0.01 -0.24 0.09 -0.22 -1.32 0.00 0.00 176.35 174.67 1ntr s LEU 52 N -4.09 0.72 -0.54 -0.68 0.20 -0.68 -0.36 118.68 113.24 1ntr s LEU 52 Ca 0.40 0.17 -0.19 0.00 0.69 0.00 0.00 54.13 55.19 1ntr s LEU 52 Cb -0.10 0.11 0.07 0.00 -0.43 0.00 0.00 46.19 45.84 1ntr s LEU 52 CO 0.34 -0.16 0.66 -0.94 -0.29 0.00 0.00 176.35 175.96 1ntr s SER 53 N 1.37 6.21 -0.21 3.68 1.04 -0.86 -0.49 113.70 124.44 1ntr s SER 53 Ca -0.06 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.10 1ntr s SER 53 Cb -0.12 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 1ntr s SER 53 CO -0.04 -0.98 0.68 -1.81 0.98 0.00 0.00 173.24 172.07 1ntr s ASP 54 N 2.99 6.73 -1.08 7.02 1.11 -0.92 -2.27 116.67 130.24 1ntr s ASP 54 Ca 0.15 0.89 -0.11 0.00 0.18 0.00 0.00 52.55 53.66 1ntr s ASP 54 Cb -0.20 -2.37 0.25 0.00 1.07 0.00 0.00 42.92 41.66 1ntr s ASP 54 CO 0.10 -0.33 1.12 -0.51 1.18 0.00 0.00 175.17 176.73 1ntr s ILE 55 N 2.13 5.76 -0.03 0.77 1.10 -1.26 -4.67 121.20 125.00 1ntr s ILE 55 Ca 0.31 -3.12 0.06 0.00 -0.51 0.00 0.00 60.65 57.39 1ntr s ILE 55 Cb -0.16 -4.64 -0.10 0.00 0.15 0.00 0.00 42.46 37.72 1ntr s ILE 55 CO 0.10 -1.24 0.15 -1.14 -2.11 0.00 0.00 174.94 170.69 1ntr n ARG 56 N 3.45 0.50 -1.49 3.50 0.63 -1.26 -5.01 116.66 116.99 1ntr n ARG 56 Ca 0.24 -0.05 -0.46 0.00 -0.92 0.00 0.00 57.85 56.67 1ntr n ARG 56 Cb 0.41 -1.13 -0.02 0.00 0.45 0.00 0.00 32.46 32.18 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1ntr n MET 57 N -1.68 0.66 -3.91 -0.14 2.81 -1.26 -4.94 117.12 108.66 1ntr n MET 57 Ca -0.01 0.23 -0.33 0.00 -1.81 0.00 0.00 57.70 55.79 1ntr n MET 57 Cb 0.16 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1ntr n MET 57 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ntr s PRO 58 N -1.32 3.43 0.00 0.03 0.04 -1.26 -4.71 135.00 131.21 1ntr s PRO 58 Ca 0.61 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1ntr s PRO 58 Cb -0.78 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1ntr s PRO 58 CO 0.58 0.65 0.00 0.41 0.04 0.00 0.00 177.00 178.69 1ntr n GLY 59 N 0.74 0.64 0.24 0.56 0.00 -1.26 -4.75 105.19 101.36 1ntr n GLY 59 Ca -0.09 -2.23 0.11 0.00 0.00 0.00 0.00 46.02 43.81 1ntr n GLY 59 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ntr h MET 60 N 8.54 0.00 -6.22 1.61 2.86 -2.05 -3.43 114.93 116.24 1ntr h MET 60 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1ntr h MET 60 Cb 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 1ntr h MET 60 CO 0.00 0.19 -0.63 0.16 1.06 0.00 0.00 176.91 177.69 1ntr s ASP 61 N -6.17 4.71 0.02 1.22 -4.77 -1.26 -4.92 116.67 105.50 1ntr s ASP 61 Ca -0.01 -0.56 -0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1ntr s ASP 61 Cb 0.11 -0.94 -0.01 0.00 -1.09 0.00 0.00 42.92 40.99 1ntr s ASP 61 CO 0.62 0.00 -0.02 0.61 0.70 0.00 0.00 175.17 177.08 1ntr n GLY 62 N -0.86 -0.04 0.00 2.12 0.00 -1.26 -4.53 105.19 100.62 1ntr n GLY 62 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ntr n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ntr n LEU 63 N -3.25 0.00 -1.72 0.99 -0.00 -1.26 -4.40 117.00 107.36 1ntr n LEU 63 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.86 1ntr n LEU 63 Cb 0.33 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.87 1ntr n LEU 63 CO 0.01 0.00 0.96 0.00 -0.00 0.00 0.00 177.39 178.35 1ntr n ALA 64 N 0.00 4.31 0.11 1.47 0.00 -1.26 -4.07 120.51 121.07 1ntr n ALA 64 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 53.44 51.85 1ntr n ALA 64 Cb 0.00 -1.26 0.25 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.44 3.61 0.34 0.00 4.32 -1.26 -4.48 117.00 119.09 1ntr n LEU 65 Ca 0.35 -1.64 -0.14 0.00 -0.02 0.00 0.00 56.01 54.56 1ntr n LEU 65 Cb 1.19 -0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 42.60 1ntr n LEU 65 CO 0.36 0.82 0.38 0.25 -1.22 0.00 0.00 177.39 177.98 1ntr h LEU 66 N 4.43 -0.76 -1.09 2.23 5.85 -1.94 -2.38 115.31 121.64 1ntr h LEU 66 Ca 0.00 0.03 0.26 0.00 0.84 0.00 0.00 57.88 59.01 1ntr h LEU 66 Cb 0.99 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.09 1ntr h LEU 66 CO 0.00 -0.41 0.62 0.50 -0.34 0.00 0.00 178.44 178.80 1ntr h LYS 67 N -1.17 0.49 0.01 1.25 3.64 -1.84 0.13 116.57 119.08 1ntr h LYS 67 Ca -0.09 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ntr h LYS 67 Cb 0.69 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1ntr h LYS 67 CO 0.15 0.32 -0.38 0.37 -2.27 0.00 0.00 179.45 177.64 1ntr h GLN 68 N 0.50 -0.53 0.00 1.90 5.75 -1.74 -2.76 115.11 118.24 1ntr h GLN 68 Ca 0.65 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 1ntr h GLN 68 Cb 1.37 0.12 0.00 0.00 1.07 0.00 0.00 27.48 30.04 1ntr h GLN 68 CO -0.45 -0.35 0.00 -0.89 -2.65 0.00 0.00 178.83 174.49 1ntr n ILE 69 N -5.44 0.00 -0.39 2.39 5.41 0.46 -0.67 119.36 121.11 1ntr n ILE 69 Ca -0.06 0.80 -0.10 0.00 1.00 0.00 0.00 62.75 64.39 1ntr n ILE 69 Cb 0.36 -1.13 -0.09 0.00 -0.71 0.00 0.00 39.64 38.07 1ntr n ILE 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ntr h LYS 70 N 0.00 -0.03 -0.11 0.38 3.64 -1.60 0.22 116.57 119.07 1ntr h LYS 70 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ntr h LYS 70 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ntr h LYS 70 CO 0.00 -0.02 -0.07 0.94 -2.27 0.00 0.00 179.45 178.03 1ntr n GLN 71 N -5.28 -0.05 0.12 1.90 -0.06 0.15 -2.73 117.38 111.42 1ntr n GLN 71 Ca 0.02 0.75 -0.05 0.00 -2.00 0.00 0.00 57.00 55.72 1ntr n GLN 71 Cb 0.28 -1.12 -0.03 0.00 -4.06 0.00 0.00 30.24 25.32 1ntr n GLN 71 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ntr h ARG 72 N 0.00 -0.34 -3.54 3.69 -0.00 -0.92 -3.44 114.38 109.82 1ntr h ARG 72 Ca 0.02 0.02 -0.49 0.00 -0.50 0.00 0.00 59.98 59.03 1ntr h ARG 72 Cb 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 1ntr h ARG 72 CO -0.11 -0.23 0.56 0.72 0.00 0.00 0.00 179.97 180.92 1ntr n HIS 73 N -4.30 0.89 0.00 3.04 8.25 0.72 -4.79 115.22 119.03 1ntr n HIS 73 Ca -0.04 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1ntr n HIS 73 Cb 0.14 -1.33 0.00 0.00 1.12 0.00 0.00 29.99 29.92 1ntr n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ntr n PRO 74 N 3.22 0.00 -2.66 -0.41 -0.04 -1.26 -4.70 135.00 129.15 1ntr n PRO 74 Ca 0.24 0.76 -0.03 0.00 -0.04 0.00 0.00 63.50 64.42 1ntr n PRO 74 Cb -0.03 -1.29 0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.10 0.07 -4.34 0.54 0.00 -1.26 -5.04 117.12 104.99 1ntr n MET 75 Ca 0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 57.70 56.86 1ntr n MET 75 Cb 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 33.22 32.99 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 -0.59 2.26 0.31 3.17 2.34 -1.26 -5.03 118.68 119.87 1ntr s LEU 76 Ca 0.23 -0.62 -0.27 0.00 0.06 0.00 0.00 54.13 53.53 1ntr s LEU 76 Cb 0.25 -0.82 -0.14 0.00 -0.56 0.00 0.00 46.19 44.92 1ntr s LEU 76 CO -0.14 0.05 0.89 -0.81 -1.06 0.00 0.00 176.35 175.28 1ntr n PRO 77 N 1.34 1.08 -3.53 1.48 -0.04 -1.26 -4.62 135.00 129.44 1ntr n PRO 77 Ca -0.19 0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 1ntr n PRO 77 Cb 0.54 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.13 0.02 0.84 0.52 -7.23 -0.83 -2.41 120.40 110.18 1ntr s VAL 78 Ca 0.60 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 1ntr s VAL 78 Cb -0.70 -1.04 0.10 0.00 0.56 0.00 0.00 36.38 35.30 1ntr s VAL 78 CO 0.59 -0.78 1.12 -0.63 -0.31 0.00 0.00 175.10 175.08 1ntr s ILE 79 N 1.87 2.77 -0.05 -0.62 1.01 0.51 -4.51 121.20 122.18 1ntr s ILE 79 Ca 0.11 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 1ntr s ILE 79 Cb -0.18 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.79 1ntr s ILE 79 CO -0.29 -0.33 0.11 0.27 0.00 0.00 0.00 174.94 174.71 1ntr s ILE 80 N -2.79 -0.03 0.99 2.92 -5.25 -1.26 -2.04 121.20 113.73 1ntr s ILE 80 Ca 0.64 0.11 -0.13 0.00 -0.99 0.00 0.00 60.65 60.28 1ntr s ILE 80 Cb -0.20 -0.18 0.18 0.00 2.95 0.00 0.00 42.46 45.22 1ntr s ILE 80 CO 0.57 0.05 1.11 -0.32 -1.79 0.00 0.00 174.94 174.56 1ntr s MET 81 N 0.72 0.53 0.27 0.37 -2.45 -0.96 -1.20 119.30 116.57 1ntr s MET 81 Ca -0.05 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1ntr s MET 81 Cb -0.07 -1.76 -0.04 0.00 1.25 0.00 0.00 34.83 34.21 1ntr s MET 81 CO -0.03 -2.63 0.46 0.99 1.05 0.00 0.00 175.02 174.85 1ntr s THR 82 N -3.09 5.16 0.00 10.11 2.01 -0.34 -4.59 115.64 124.91 1ntr s THR 82 Ca 0.65 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1ntr s THR 82 Cb -0.17 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1ntr s THR 82 CO 0.56 -0.35 0.00 0.00 -0.69 0.00 0.00 174.62 174.14 1ntr n ALA 83 N -1.20 0.00 0.00 7.40 0.00 -1.26 -4.86 120.51 120.59 1ntr n ALA 83 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ntr n ALA 83 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 -2.09 0.00 -0.00 -1.26 -4.96 115.22 106.91 1ntr n HIS 84 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1ntr n HIS 84 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1ntr n HIS 84 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1ntr n SER 85 N 0.00 -2.66 -2.12 0.26 3.41 -1.26 -3.48 113.62 107.78 1ntr n SER 85 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ntr n SER 85 Cb 0.00 -2.41 0.00 0.00 -0.26 0.00 0.00 64.21 61.54 1ntr n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ntr n ASP 86 N -1.16 -9.21 -0.34 4.04 8.00 -1.26 -3.61 116.55 113.00 1ntr n ASP 86 Ca -0.09 1.42 0.33 0.00 0.71 0.00 0.00 54.79 57.16 1ntr n ASP 86 Cb 0.48 -5.21 0.51 0.00 -0.02 0.00 0.00 41.12 36.87 1ntr n ASP 86 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ntr n LEU 87 N 1.94 0.00 -0.12 0.64 7.94 -1.23 -1.20 117.00 124.97 1ntr n LEU 87 Ca 0.00 0.76 -0.03 0.00 -1.11 0.00 0.00 56.01 55.63 1ntr n LEU 87 Cb 0.00 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 1ntr n LEU 87 CO 0.00 -0.76 0.31 -0.67 -1.11 0.00 0.00 177.39 175.16 1ntr n ASP 88 N -3.28 -0.31 0.05 1.96 -0.08 -1.26 0.28 116.55 113.91 1ntr n ASP 88 Ca 0.27 0.86 -0.09 0.00 -1.51 0.00 0.00 54.79 54.33 1ntr n ASP 88 Cb 1.54 -0.24 -0.13 0.00 2.34 0.00 0.00 41.12 44.63 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ntr h ALA 89 N -0.20 0.41 0.35 -1.67 0.00 -1.22 -3.37 119.26 113.57 1ntr h ALA 89 Ca 0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 1ntr h ALA 89 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ntr h ALA 89 CO -0.28 1.29 -0.17 0.00 0.00 0.00 0.00 179.25 180.10 1ntr h ALA 90 N 0.92 -0.91 0.00 0.00 0.00 -0.20 -3.26 119.26 115.81 1ntr h ALA 90 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ntr h ALA 90 Cb 1.86 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1ntr h ALA 90 CO 0.13 -0.87 0.00 1.55 0.00 0.00 0.00 179.25 180.05 1ntr n VAL 91 N -3.52 0.00 -1.55 0.00 3.14 0.81 -3.65 118.33 113.56 1ntr n VAL 91 Ca -0.06 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.09 1ntr n VAL 91 Cb 0.18 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.89 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ntr n SER 92 N -2.90 1.56 0.00 6.55 2.88 -1.23 -4.52 113.62 115.95 1ntr n SER 92 Ca 0.00 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 1ntr n SER 92 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 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 15.99 2.61 -0.10 -1.46 0.00 -1.24 -4.85 120.51 131.46 1ntr n ALA 93 Ca 0.47 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.00 1ntr n ALA 93 Cb 0.41 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.15 1ntr n ALA 93 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ntr n TYR 94 N -1.92 0.99 -3.36 0.00 0.18 -1.25 -3.87 117.16 107.93 1ntr n TYR 94 Ca 0.00 -0.45 -0.43 0.00 1.88 0.00 0.00 57.90 58.89 1ntr n TYR 94 Cb 0.00 -0.07 -0.09 0.00 -0.38 0.00 0.00 39.34 38.80 1ntr n TYR 94 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1ntr s GLN 95 N -1.37 3.03 0.55 -3.48 -0.21 -1.26 -4.93 119.66 111.98 1ntr s GLN 95 Ca 0.43 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1ntr s GLN 95 Cb 0.24 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 30.23 1ntr s GLN 95 CO 0.26 -0.89 0.00 0.94 -2.12 0.00 0.00 175.29 173.48 1ntr n GLN 96 N 5.43 -3.12 -1.42 2.91 7.27 -1.26 -4.95 117.38 122.23 1ntr n GLN 96 Ca -0.09 2.47 0.18 0.00 0.07 0.00 0.00 57.00 59.63 1ntr n GLN 96 Cb 0.46 -3.68 -0.06 0.00 2.41 0.00 0.00 30.24 29.37 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 -4.24 -2.33 2.91 1.69 0.00 -1.26 -4.75 105.19 97.20 1ntr n GLY 97 Ca -0.07 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1ntr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntr s ALA 98 N -2.96 2.15 0.00 4.61 0.00 -1.26 -4.93 121.76 119.36 1ntr s ALA 98 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1ntr s ALA 98 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1ntr s ALA 98 CO 0.00 -1.49 0.00 1.97 0.00 0.00 0.00 175.76 176.24 1ntr n PHE 99 N 4.58 0.00 0.00 0.00 -1.74 -1.25 -1.96 117.46 117.10 1ntr n PHE 99 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.85 1ntr n PHE 99 Cb 0.43 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.43 1ntr n PHE 99 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1ntr n ASP 100 N 0.00 0.00 -3.64 5.98 8.00 -1.26 -3.97 116.55 121.67 1ntr n ASP 100 Ca 0.00 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 1ntr n ASP 100 Cb 0.00 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 1ntr n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ntr s TYR 101 N -0.75 -0.55 -0.19 1.24 2.02 -1.26 -4.75 117.35 113.12 1ntr s TYR 101 Ca 0.00 1.28 -0.00 0.00 -0.37 0.00 0.00 57.07 57.97 1ntr s TYR 101 Cb 0.00 0.36 0.05 0.00 -0.40 0.00 0.00 41.96 41.97 1ntr s TYR 101 CO 0.00 -0.26 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.50 1ntr s LEU 102 N 0.46 1.84 0.33 -1.29 2.96 -0.34 -4.96 118.68 117.68 1ntr s LEU 102 Ca 0.01 -0.81 0.07 0.00 -0.22 0.00 0.00 54.13 53.17 1ntr s LEU 102 Cb -0.05 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1ntr s LEU 102 CO -0.07 -0.21 0.35 -2.16 -1.32 0.00 0.00 176.35 172.95 1ntr s PRO 103 N 1.58 2.88 0.38 0.98 0.04 -1.26 -1.19 135.00 138.41 1ntr s PRO 103 Ca -0.01 -1.18 -0.01 0.00 0.04 0.00 0.00 61.00 59.84 1ntr s PRO 103 Cb -0.16 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1ntr s PRO 103 CO -0.07 0.09 0.61 -1.59 0.04 0.00 0.00 177.00 176.08 1ntr s LYS 104 N -4.05 3.46 0.61 4.56 -2.85 -1.26 -4.23 119.74 115.98 1ntr s LYS 104 Ca 0.42 -0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 55.03 1ntr s LYS 104 Cb -0.07 -2.60 -0.04 0.00 -2.06 0.00 0.00 37.83 33.06 1ntr s LYS 104 CO 0.28 0.05 1.03 -1.25 0.10 0.00 0.00 175.35 175.55 1ntr s PRO 105 N -4.42 3.57 0.02 1.78 0.04 -1.26 -5.15 135.00 129.57 1ntr s PRO 105 Ca 0.42 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ntr s PRO 105 Cb -0.10 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1ntr s PRO 105 CO 0.38 -0.59 -0.03 -0.59 0.04 0.00 0.00 177.00 176.21 1ntr s PHE 106 N -3.06 0.26 0.25 0.56 -0.71 -1.26 -5.14 117.98 108.88 1ntr s PHE 106 Ca 0.56 -0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 55.93 1ntr s PHE 106 Cb -0.11 -0.18 -0.08 0.00 -1.21 0.00 0.00 43.02 41.44 1ntr s PHE 106 CO 0.50 -0.11 0.70 0.34 -1.34 0.00 0.00 175.22 175.32 1ntr s ASP 107 N -0.97 6.92 0.28 1.98 2.15 -1.26 -4.96 116.67 120.82 1ntr s ASP 107 Ca -0.09 1.32 0.15 0.00 0.43 0.00 0.00 52.55 54.35 1ntr s ASP 107 Cb -0.07 -2.38 0.25 0.00 -0.30 0.00 0.00 42.92 40.42 1ntr s ASP 107 CO -0.00 -0.05 1.53 0.40 -0.17 0.00 0.00 175.17 176.88 1ntr h ILE 108 N 2.46 1.05 0.12 4.11 5.03 -1.98 -1.77 117.51 126.52 1ntr h ILE 108 Ca -0.48 -2.18 -0.32 0.00 -0.12 0.00 0.00 64.86 61.76 1ntr h ILE 108 Cb 1.19 2.31 -0.01 0.00 -3.03 0.00 0.00 36.82 37.27 1ntr h ILE 108 CO 0.65 0.54 -1.67 -0.78 -0.68 0.00 0.00 178.15 176.22 1ntr h ASP 109 N 0.00 0.39 -0.70 1.72 1.82 -1.93 -0.89 116.42 116.83 1ntr h ASP 109 Ca -0.01 -0.62 -0.02 0.00 -0.39 0.00 0.00 57.03 56.00 1ntr h ASP 109 Cb 1.26 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.11 1ntr h ASP 109 CO 0.07 1.53 0.38 -0.08 -1.61 0.00 0.00 179.24 179.53 1ntr h GLU 110 N 0.07 0.99 0.10 0.28 4.81 -1.95 -1.18 114.58 117.70 1ntr h GLU 110 Ca -0.30 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1ntr h GLU 110 Cb 2.03 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.22 1ntr h GLU 110 CO 0.14 0.74 -0.05 0.00 -0.73 0.00 0.00 179.01 179.12 1ntr h ALA 111 N 1.19 -0.44 -0.90 2.92 0.00 -1.39 -2.60 119.26 118.03 1ntr h ALA 111 Ca 0.25 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1ntr h ALA 111 Cb 0.05 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 1ntr h ALA 111 CO -0.04 -0.43 -0.31 0.28 0.00 0.00 0.00 179.25 178.75 1ntr n VAL 112 N -2.80 -0.44 0.03 0.00 0.31 -0.34 -1.74 118.33 113.34 1ntr n VAL 112 Ca -0.02 2.10 -0.01 0.00 -0.01 0.00 0.00 64.34 66.40 1ntr n VAL 112 Cb 0.06 -2.81 -0.00 0.00 -0.91 0.00 0.00 33.84 30.17 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 1.42 -0.89 -0.74 3.52 0.00 -1.32 -1.55 119.26 119.69 1ntr h ALA 113 Ca 0.35 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1ntr h ALA 113 Cb 0.58 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1ntr h ALA 113 CO -0.90 -0.88 -0.33 -0.11 0.00 0.00 0.00 179.25 177.02 1ntr n LEU 114 N -2.20 -0.56 0.18 0.00 7.94 -0.94 0.11 117.00 121.53 1ntr n LEU 114 Ca -0.01 1.30 -0.15 0.00 -1.11 0.00 0.00 56.01 56.04 1ntr n LEU 114 Cb 0.03 -0.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.64 1ntr n LEU 114 CO 0.02 -1.14 0.62 0.58 -1.11 0.00 0.00 177.39 176.36 1ntr h VAL 115 N 0.00 0.24 -1.15 1.96 2.07 -1.37 -1.43 116.25 116.57 1ntr h VAL 115 Ca 0.22 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.16 1ntr h VAL 115 Cb 0.41 0.24 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 1ntr h VAL 115 CO -0.72 0.00 0.71 1.21 0.02 0.00 0.00 177.57 178.78 1ntr n GLU 116 N -5.46 -0.04 0.07 1.57 0.00 0.30 0.11 120.64 117.20 1ntr n GLU 116 Ca -0.08 1.17 -0.17 0.00 0.00 0.00 0.00 57.16 58.08 1ntr n GLU 116 Cb 0.37 -2.24 -0.14 0.00 0.00 0.00 0.00 31.44 29.42 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 0.26 0.89 5.31 -0.00 -0.77 -3.33 114.38 116.73 1ntr h ARG 117 Ca 0.79 -0.44 -0.04 0.00 -0.00 0.00 0.00 59.98 60.29 1ntr h ARG 117 Cb 2.41 0.16 0.01 0.00 -0.00 0.00 0.00 29.97 32.56 1ntr h ARG 117 CO -0.51 1.13 -0.43 0.00 -0.00 0.00 0.00 179.97 180.17 1ntr h ALA 118 N 0.50 -1.19 -0.72 0.08 0.00 0.15 -2.71 119.26 115.36 1ntr h ALA 118 Ca -0.23 -0.26 0.29 0.00 0.00 0.00 0.00 54.91 54.72 1ntr h ALA 118 Cb 2.01 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 20.13 1ntr h ALA 118 CO 0.17 -1.11 0.36 -0.89 0.00 0.00 0.00 179.25 177.78 1ntr n ILE 119 N -5.57 -0.30 -1.40 0.00 5.41 -0.38 0.23 119.36 117.35 1ntr n ILE 119 Ca -0.15 1.48 -0.26 0.00 1.00 0.00 0.00 62.75 64.82 1ntr n ILE 119 Cb 0.47 -2.39 -0.08 0.00 -0.71 0.00 0.00 39.64 36.93 1ntr n ILE 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ntr n SER 120 N -4.67 6.72 -0.06 4.38 2.88 -1.02 -4.29 113.62 117.55 1ntr n SER 120 Ca 0.27 -2.87 0.11 0.00 -1.33 0.00 0.00 58.87 55.05 1ntr n SER 120 Cb 0.90 -1.36 0.04 0.00 -0.75 0.00 0.00 64.21 63.03 1ntr n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ntr n HIS 121 N 1.95 0.00 0.66 0.66 1.44 0.14 -4.03 115.22 116.04 1ntr n HIS 121 Ca 0.54 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.32 1ntr n HIS 121 Cb 0.56 -0.08 0.35 0.00 0.12 0.00 0.00 29.99 30.94 1ntr n HIS 121 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ntr n TYR 122 N -1.30 0.00 -1.76 -1.40 4.01 -1.26 -3.48 117.16 111.96 1ntr n TYR 122 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1ntr n TYR 122 Cb 0.35 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.29 3.19 0.00 -0.72 6.02 -1.26 -5.29 117.38 118.03 1ntr n GLN 123 Ca 0.07 -2.96 0.08 0.00 -0.01 0.00 0.00 57.00 54.18 1ntr n GLN 123 Cb 0.11 -2.30 0.07 0.00 1.02 0.00 0.00 30.24 29.15 1ntr n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14