#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1p s LEU 2 N 0.00 4.49 -0.03 -0.89 2.96 -0.70 -2.58 118.68 121.92 2d1p s LEU 2 Ca 0.00 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 2d1p s LEU 2 Cb 0.00 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2d1p s LEU 2 CO 0.00 -0.22 0.37 -1.00 -1.32 0.00 0.00 176.35 174.18 2d1p s HIS 3 N 1.72 3.68 -0.05 5.38 3.76 0.20 -1.35 115.29 128.63 2d1p s HIS 3 Ca 0.06 0.90 0.04 0.00 -0.15 0.00 0.00 55.06 55.92 2d1p s HIS 3 Cb -0.17 -2.27 -0.00 0.00 1.11 0.00 0.00 32.58 31.24 2d1p s HIS 3 CO 0.10 0.59 -0.18 0.95 -0.85 0.00 0.00 174.74 175.35 2d1p s THR 4 N -0.82 1.49 -0.24 1.30 -4.23 -0.40 -0.48 115.64 112.26 2d1p s THR 4 Ca 0.22 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2d1p s THR 4 Cb -0.16 -1.28 0.05 0.00 1.34 0.00 0.00 72.50 72.46 2d1p s THR 4 CO 0.11 0.43 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.30 2d1p s LEU 5 N 0.06 2.91 0.00 4.79 2.96 -0.67 0.73 118.68 129.47 2d1p s LEU 5 Ca -0.05 -1.21 0.22 0.00 -0.22 0.00 0.00 54.13 52.88 2d1p s LEU 5 Cb -0.12 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.24 2d1p s LEU 5 CO 0.03 -0.19 1.12 0.00 -1.32 0.00 0.00 176.35 175.99 2d1p n HIS 6 N 4.56 0.00 -4.33 5.38 1.44 -1.26 -2.04 115.22 118.97 2d1p n HIS 6 Ca -0.14 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.34 2d1p n HIS 6 Cb 0.44 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.47 2d1p n HIS 6 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2d1p s ARG 7 N -2.28 2.13 0.30 -1.40 0.52 -1.26 -2.16 118.95 114.80 2d1p s ARG 7 Ca 0.21 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.57 2d1p s ARG 7 Cb 0.18 -2.04 -0.12 0.00 0.52 0.00 0.00 34.95 33.49 2d1p s ARG 7 CO 0.48 0.31 1.45 0.45 0.02 0.00 0.00 175.30 178.01 2d1p n SER 8 N -0.86 3.28 0.28 0.23 2.88 -1.25 -3.46 113.62 114.72 2d1p n SER 8 Ca -0.06 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.79 2d1p n SER 8 Cb 0.60 -1.52 0.82 0.00 -0.75 0.00 0.00 64.21 63.35 2d1p n SER 8 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2d1p h PRO 9 N 3.83 0.00 0.00 -1.46 0.13 -1.87 -0.19 132.00 132.44 2d1p h PRO 9 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2d1p h PRO 9 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2d1p h PRO 9 CO 0.72 0.05 0.00 -1.49 -0.23 0.00 0.00 178.00 177.05 2d1p h TRP 10 N 0.00 0.00 -0.27 1.56 6.55 -1.98 -2.60 115.95 119.21 2d1p h TRP 10 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2d1p h TRP 10 Cb 0.13 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.43 2d1p h TRP 10 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.67 2d1p n LEU 11 N -3.06 3.69 -4.42 -4.49 4.77 -0.11 -4.98 117.00 108.40 2d1p n LEU 11 Ca 0.00 -2.85 -0.28 0.00 -0.03 0.00 0.00 56.01 52.86 2d1p n LEU 11 Cb 0.29 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 2d1p n LEU 11 CO 0.27 0.68 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.58 2d1p s THR 12 N -2.53 2.37 -1.32 -5.08 2.01 -0.98 -4.88 115.64 105.23 2d1p s THR 12 Ca 0.39 -1.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.31 2d1p s THR 12 Cb 0.30 -2.11 0.08 0.00 0.01 0.00 0.00 72.50 70.78 2d1p s THR 12 CO 0.10 -0.04 1.81 -0.67 -0.69 0.00 0.00 174.62 175.13 2d1p n ASP 13 N 0.50 4.76 -0.26 3.53 -0.08 -1.26 -4.78 116.55 118.96 2d1p n ASP 13 Ca -0.14 -2.91 0.01 0.00 -1.51 0.00 0.00 54.79 50.23 2d1p n ASP 13 Cb 0.55 -1.71 0.14 0.00 2.34 0.00 0.00 41.12 42.43 2d1p n ASP 13 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2d1p h PHE 14 N 7.18 0.75 -0.72 -0.67 3.57 -1.96 -2.00 116.94 123.09 2d1p h PHE 14 Ca 0.46 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.07 2d1p h PHE 14 Cb 0.82 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 2d1p h PHE 14 CO 1.40 0.32 0.40 0.00 -2.23 0.00 0.00 178.31 178.20 2d1p h ALA 15 N 1.41 0.99 -0.51 2.41 0.00 -1.97 -0.19 119.26 121.40 2d1p h ALA 15 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2d1p h ALA 15 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2d1p h ALA 15 CO -0.23 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.09 2d1p h ALA 16 N 1.40 1.09 -0.18 0.00 0.00 -1.78 -2.38 119.26 117.41 2d1p h ALA 16 Ca 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2d1p h ALA 16 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2d1p h ALA 16 CO -0.22 0.58 0.03 1.25 0.00 0.00 0.00 179.25 180.89 2d1p h LEU 17 N 0.78 0.28 -0.76 0.00 6.46 -0.68 -3.10 115.31 118.28 2d1p h LEU 17 Ca 0.15 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2d1p h LEU 17 Cb 0.44 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.23 2d1p h LEU 17 CO 0.02 0.46 0.43 -0.07 -0.62 0.00 0.00 178.44 178.65 2d1p h LEU 18 N 0.08 0.62 -2.41 2.25 3.38 -0.89 -2.14 115.31 116.21 2d1p h LEU 18 Ca 0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2d1p h LEU 18 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2d1p h LEU 18 CO 0.00 0.37 0.00 0.03 0.09 0.00 0.00 178.44 178.93 2d1p h ARG 19 N 0.75 0.00 -0.02 1.13 3.08 -1.35 -2.10 114.38 115.86 2d1p h ARG 19 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2d1p h ARG 19 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2d1p h ARG 19 CO -0.22 0.00 -0.12 1.28 -1.07 0.00 0.00 179.97 179.84 2d1p n LEU 20 N -2.89 2.50 -4.68 3.04 4.32 -0.81 -4.91 117.00 113.57 2d1p n LEU 20 Ca -0.02 -0.85 -0.42 0.00 -0.02 0.00 0.00 56.01 54.70 2d1p n LEU 20 Cb 0.10 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2d1p n LEU 20 CO 0.19 0.43 0.75 -0.76 -1.22 0.00 0.00 177.39 176.78 2d1p s LEU 21 N -2.13 4.22 0.21 2.23 1.43 -0.79 -5.05 118.68 118.80 2d1p s LEU 21 Ca 0.27 1.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.92 2d1p s LEU 21 Cb 0.20 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2d1p s LEU 21 CO 0.38 -0.45 -0.22 -0.94 0.23 0.00 0.00 176.35 175.35 2d1p s SER 22 N 1.11 3.51 0.20 2.29 1.04 -1.26 -4.97 113.70 115.62 2d1p s SER 22 Ca 0.46 -0.87 -0.32 0.00 0.48 0.00 0.00 55.95 55.69 2d1p s SER 22 Cb -0.18 -0.29 -0.15 0.00 0.10 0.00 0.00 66.02 65.50 2d1p s SER 22 CO 0.16 0.11 1.25 -0.62 0.98 0.00 0.00 173.24 175.12 2d1p n GLU 23 N 0.12 1.47 0.00 4.02 1.02 -1.26 -1.06 120.64 124.94 2d1p n GLU 23 Ca -0.11 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2d1p n GLU 23 Cb 0.57 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2d1p n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d1p n GLY 24 N 2.08 1.49 3.83 0.62 0.00 -1.16 -5.02 105.19 107.03 2d1p n GLY 24 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2d1p n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d1p s ASP 25 N -2.35 5.75 0.05 1.61 1.01 -0.23 -4.69 116.67 117.82 2d1p s ASP 25 Ca 0.00 1.62 0.06 0.00 0.71 0.00 0.00 52.55 54.94 2d1p s ASP 25 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2d1p s ASP 25 CO 0.00 -1.19 -0.18 -1.61 0.21 0.00 0.00 175.17 172.40 2d1p s GLU 26 N -4.77 1.14 -0.18 8.23 2.02 -1.07 -3.33 118.70 120.76 2d1p s GLU 26 Ca 0.59 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.66 2d1p s GLU 26 Cb -0.13 -1.24 0.01 0.00 0.10 0.00 0.00 34.13 32.87 2d1p s GLU 26 CO 0.49 0.31 -0.18 -1.17 0.02 0.00 0.00 175.26 174.72 2d1p s LEU 27 N -1.34 2.24 -0.22 1.80 2.96 -0.33 -0.63 118.68 123.17 2d1p s LEU 27 Ca 0.05 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 2d1p s LEU 27 Cb -0.09 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2d1p s LEU 27 CO 0.02 0.02 0.07 -0.22 -1.32 0.00 0.00 176.35 174.92 2d1p s LEU 28 N 1.21 3.64 -0.20 -0.68 2.96 0.37 0.28 118.68 126.26 2d1p s LEU 28 Ca 0.03 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 2d1p s LEU 28 Cb -0.14 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2d1p s LEU 28 CO -0.09 0.07 0.24 -0.76 -1.32 0.00 0.00 176.35 174.49 2d1p s LEU 29 N 0.99 4.19 0.21 -0.68 1.43 0.72 -1.66 118.68 123.87 2d1p s LEU 29 Ca 0.04 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2d1p s LEU 29 Cb -0.14 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2d1p s LEU 29 CO 0.03 0.08 0.22 -1.48 0.23 0.00 0.00 176.35 175.42 2d1p s LEU 30 N 0.73 0.98 0.00 1.79 2.34 -0.87 -1.09 118.68 122.57 2d1p s LEU 30 Ca 0.13 -1.25 0.00 0.00 0.06 0.00 0.00 54.13 53.07 2d1p s LEU 30 Cb -0.13 0.74 0.00 0.00 -0.56 0.00 0.00 46.19 46.24 2d1p s LEU 30 CO 0.03 -0.91 0.00 0.00 -1.06 0.00 0.00 176.35 174.41 2d1p n GLN 31 N -0.28 0.00 0.07 1.48 6.02 -1.26 0.18 117.38 123.58 2d1p n GLN 31 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2d1p n GLN 31 Cb 0.65 0.00 0.40 0.00 1.02 0.00 0.00 30.24 32.31 2d1p n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2d1p n ASP 32 N 2.38 0.34 0.28 1.08 8.00 -0.92 -2.96 116.55 124.74 2d1p n ASP 32 Ca 0.00 0.59 0.16 0.00 0.71 0.00 0.00 54.79 56.25 2d1p n ASP 32 Cb 0.00 -0.66 0.81 0.00 -0.02 0.00 0.00 41.12 41.26 2d1p n ASP 32 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2d1p h GLY 33 N 2.30 0.00 2.00 0.44 0.00 -0.24 -2.86 103.07 104.70 2d1p h GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d1p h GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2d1p n VAL 34 N -3.36 1.10 0.29 4.60 0.24 -1.16 -1.87 118.33 118.17 2d1p n VAL 34 Ca -0.01 0.43 0.18 0.00 -2.04 0.00 0.00 64.34 62.89 2d1p n VAL 34 Cb 0.23 -1.36 0.88 0.00 -1.47 0.00 0.00 33.84 32.13 2d1p n VAL 34 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2d1p h THR 35 N 0.00 0.17 0.00 3.34 1.35 -1.77 -0.75 112.91 115.25 2d1p h THR 35 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2d1p h THR 35 Cb 0.18 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2d1p h THR 35 CO 0.00 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.31 2d1p n ALA 36 N -2.15 1.87 1.03 6.62 0.00 -0.78 -2.77 120.51 124.33 2d1p n ALA 36 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2d1p n ALA 36 Cb 0.21 -1.34 0.23 0.00 0.00 0.00 0.00 19.45 18.54 2d1p n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d1p n ALA 37 N -1.58 3.61 -2.01 0.00 0.00 -0.29 -4.33 120.51 115.92 2d1p n ALA 37 Ca 0.04 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2d1p n ALA 37 Cb 0.24 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2d1p n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2d1p s VAL 38 N -2.94 3.34 0.15 0.00 1.01 -1.11 -1.57 120.40 119.28 2d1p s VAL 38 Ca 0.12 0.67 -0.34 0.00 0.00 0.00 0.00 61.98 62.43 2d1p s VAL 38 Cb 0.18 -3.43 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 2d1p s VAL 38 CO 0.69 -0.02 1.55 -0.67 0.00 0.00 0.00 175.10 176.66 2d1p n ASP 39 N 6.05 2.94 0.00 3.32 -0.08 0.10 -1.66 116.55 127.22 2d1p n ASP 39 Ca 0.16 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 2d1p n ASP 39 Cb 0.42 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.48 2d1p n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d1p n GLY 40 N 3.33 0.97 3.79 0.27 0.00 -1.26 -5.00 105.19 107.30 2d1p n GLY 40 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2d1p n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d1p s ASN 41 N -2.92 6.29 0.11 1.61 4.22 -0.67 -4.93 114.94 118.67 2d1p s ASN 41 Ca 0.00 1.96 0.10 0.00 -2.14 0.00 0.00 52.86 52.78 2d1p s ASN 41 Cb 0.00 -2.56 0.50 0.00 1.28 0.00 0.00 41.25 40.47 2d1p s ASN 41 CO 0.00 -0.82 1.31 -2.11 -2.04 0.00 0.00 177.10 173.45 2d1p n ARG 42 N -0.96 0.06 0.00 3.55 1.85 -1.26 -2.15 116.66 117.75 2d1p n ARG 42 Ca 0.09 0.50 0.10 0.00 -1.00 0.00 0.00 57.85 57.55 2d1p n ARG 42 Cb 0.52 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 30.17 2d1p n ARG 42 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2d1p n TYR 43 N -1.78 0.03 -0.07 2.89 4.02 -1.26 -4.50 117.16 116.49 2d1p n TYR 43 Ca 0.00 0.01 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 2d1p n TYR 43 Cb 0.05 -0.18 -0.01 0.00 -0.02 0.00 0.00 39.34 39.18 2d1p n TYR 43 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2d1p h LEU 44 N 0.00 -0.18 -0.45 7.72 5.85 -1.62 -2.95 115.31 123.67 2d1p h LEU 44 Ca 0.00 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2d1p h LEU 44 Cb 0.64 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2d1p h LEU 44 CO 0.00 -0.06 0.04 -0.08 -0.34 0.00 0.00 178.44 178.00 2d1p h GLU 45 N 0.04 0.15 -0.36 1.25 4.57 -1.79 -0.93 114.58 117.51 2d1p h GLU 45 Ca 0.13 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2d1p h GLU 45 Cb 0.18 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2d1p h GLU 45 CO -0.25 0.10 0.16 0.66 -1.18 0.00 0.00 179.01 178.51 2d1p h SER 46 N 0.16 0.45 -0.24 1.04 4.64 -1.80 -0.37 113.55 117.42 2d1p h SER 46 Ca 0.23 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2d1p h SER 46 Cb 0.32 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2d1p h SER 46 CO -0.34 0.40 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.52 2d1p h LEU 47 N 0.51 0.80 -1.37 5.97 3.38 -1.16 -2.76 115.31 120.68 2d1p h LEU 47 Ca 0.13 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2d1p h LEU 47 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2d1p h LEU 47 CO -0.02 1.18 -0.05 0.03 0.09 0.00 0.00 178.44 179.67 2d1p h ARG 48 N 0.45 0.36 0.00 1.13 3.08 -0.58 -1.77 114.38 117.04 2d1p h ARG 48 Ca 0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2d1p h ARG 48 Cb 1.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2d1p h ARG 48 CO 0.10 0.43 0.00 0.09 -1.07 0.00 0.00 179.97 179.52 2d1p n ASN 49 N -4.30 0.00 -4.82 7.04 4.13 -0.21 -4.80 115.26 112.30 2d1p n ASN 49 Ca 0.00 -0.17 -0.37 0.00 1.68 0.00 0.00 54.58 55.73 2d1p n ASN 49 Cb 0.24 -0.28 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 2d1p n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2d1p s ALA 50 N -2.55 3.51 0.00 5.41 0.00 -0.67 -4.95 121.76 122.52 2d1p s ALA 50 Ca 0.29 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2d1p s ALA 50 Cb 0.20 -2.70 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 2d1p s ALA 50 CO 0.45 0.38 1.90 -2.30 0.00 0.00 0.00 175.76 176.19 2d1p n PRO 51 N 1.12 0.93 -4.19 0.00 -0.02 -1.26 -4.81 135.00 126.77 2d1p n PRO 51 Ca -0.06 -0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 60.89 2d1p n PRO 51 Cb 0.51 -1.66 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 2d1p n PRO 51 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2d1p s ILE 52 N 1.78 0.01 -0.14 4.25 -4.36 -1.26 -2.99 121.20 118.48 2d1p s ILE 52 Ca 0.28 -1.97 -0.05 0.00 -0.26 0.00 0.00 60.65 58.64 2d1p s ILE 52 Cb 0.13 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2d1p s ILE 52 CO 0.00 -0.05 0.05 -0.54 0.24 0.00 0.00 174.94 174.64 2d1p s LYS 53 N -4.14 3.56 -0.13 0.37 1.02 -1.21 -5.00 119.74 114.20 2d1p s LYS 53 Ca 0.37 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 2d1p s LYS 53 Cb 0.07 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2d1p s LYS 53 CO 0.11 0.50 -0.09 0.08 -0.92 0.00 0.00 175.35 175.03 2d1p s VAL 54 N -0.29 3.40 0.30 3.17 1.01 -1.26 -1.19 120.40 125.54 2d1p s VAL 54 Ca 0.08 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2d1p s VAL 54 Cb -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2d1p s VAL 54 CO 0.02 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.23 2d1p s TYR 55 N 0.16 2.44 -0.04 5.22 2.02 0.14 -1.41 117.35 125.90 2d1p s TYR 55 Ca -0.05 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2d1p s TYR 55 Cb -0.14 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 2d1p s TYR 55 CO 0.04 0.63 0.07 0.00 -1.57 0.00 0.00 175.55 174.72 2d1p s ALA 56 N -2.49 -0.05 -0.29 3.71 0.00 -0.52 -0.20 121.76 121.91 2d1p s ALA 56 Ca 0.32 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 2d1p s ALA 56 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2d1p s ALA 56 CO 0.17 -0.12 1.48 -1.17 0.00 0.00 0.00 175.76 176.12 2d1p s LEU 57 N 1.04 3.79 0.36 0.00 2.96 -0.25 -1.92 118.68 124.68 2d1p s LEU 57 Ca -0.08 1.29 0.07 0.00 -0.22 0.00 0.00 54.13 55.19 2d1p s LEU 57 Cb -0.12 -3.54 0.78 0.00 0.50 0.00 0.00 46.19 43.82 2d1p s LEU 57 CO -0.04 -1.27 1.92 -1.13 -1.32 0.00 0.00 176.35 174.51 2d1p h ASN 58 N 10.41 0.65 -0.74 3.68 -1.24 -0.92 -1.40 115.58 126.02 2d1p h ASN 58 Ca -0.30 0.02 0.07 0.00 0.71 0.00 0.00 56.30 56.80 2d1p h ASN 58 Cb 1.13 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 40.01 2d1p h ASN 58 CO 1.03 0.38 0.49 -0.33 -1.29 0.00 0.00 177.43 177.71 2d1p h GLU 59 N 0.72 0.73 0.00 6.67 3.07 -1.90 0.42 114.58 124.29 2d1p h GLU 59 Ca 0.37 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 2d1p h GLU 59 Cb 0.48 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2d1p h GLU 59 CO -0.15 0.48 -0.66 -0.44 -1.40 0.00 0.00 179.01 176.84 2d1p h ASP 60 N 0.75 0.00 0.11 1.42 3.32 -1.62 -1.65 116.42 118.74 2d1p h ASP 60 Ca 0.32 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.18 2d1p h ASP 60 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2d1p h ASP 60 CO -0.11 0.66 -0.72 -0.07 -1.72 0.00 0.00 179.24 177.28 2d1p h LEU 61 N 0.00 0.63 -0.32 1.55 3.38 -1.09 -2.48 115.31 116.98 2d1p h LEU 61 Ca -0.01 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2d1p h LEU 61 Cb 1.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2d1p h LEU 61 CO 0.09 1.16 0.03 0.40 0.09 0.00 0.00 178.44 180.20 2d1p h ILE 62 N 0.37 1.25 -0.30 1.22 2.04 -0.87 0.32 117.51 121.54 2d1p h ILE 62 Ca -0.03 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2d1p h ILE 62 Cb 1.31 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2d1p h ILE 62 CO 0.13 0.29 0.14 0.00 0.00 0.00 0.00 178.15 178.72 2d1p h ALA 63 N 0.87 1.70 -0.56 1.87 0.00 -1.27 -2.57 119.26 119.30 2d1p h ALA 63 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d1p h ALA 63 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2d1p h ALA 63 CO 0.01 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.05 2d1p n ARG 64 N -4.44 2.61 -3.65 0.00 1.74 -0.94 -4.97 116.66 107.01 2d1p n ARG 64 Ca 0.01 -2.47 -0.24 0.00 -0.77 0.00 0.00 57.85 54.38 2d1p n ARG 64 Cb 0.11 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.07 2d1p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d1p n GLY 65 N 1.59 -0.48 0.19 -0.13 0.00 -0.48 -4.92 105.19 100.96 2d1p n GLY 65 Ca 0.22 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.47 2d1p n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d1p n LEU 66 N -4.73 1.83 -0.34 0.99 4.77 -0.02 -4.82 117.00 114.69 2d1p n LEU 66 Ca -0.06 -1.51 0.21 0.00 -0.03 0.00 0.00 56.01 54.62 2d1p n LEU 66 Cb 0.58 -0.04 0.46 0.00 -2.33 0.00 0.00 43.42 42.09 2d1p n LEU 66 CO 0.67 0.44 1.19 0.71 -1.33 0.00 0.00 177.39 179.07 2d1p h THR 67 N 0.73 0.51 -0.55 -5.08 1.35 -1.91 -1.58 112.91 106.37 2d1p h THR 67 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2d1p h THR 67 Cb 0.38 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 2d1p h THR 67 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2d1p n GLY 68 N -1.40 1.74 0.07 5.82 0.00 -1.26 -4.21 105.19 105.94 2d1p n GLY 68 Ca 0.27 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.75 2d1p n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2d1p n GLN 69 N 1.07 1.54 -3.09 1.61 6.02 -0.60 -5.05 117.38 118.88 2d1p n GLN 69 Ca 0.19 -2.34 -0.38 0.00 -0.01 0.00 0.00 57.00 54.45 2d1p n GLN 69 Cb 0.53 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.34 2d1p n GLN 69 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2d1p s ILE 70 N -2.47 4.52 0.50 5.09 -1.09 -1.25 -0.72 121.20 125.78 2d1p s ILE 70 Ca 0.26 1.47 -0.23 0.00 -2.23 0.00 0.00 60.65 59.91 2d1p s ILE 70 Cb 0.22 -4.01 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 2d1p s ILE 70 CO 0.02 0.47 1.27 -0.24 -1.23 0.00 0.00 174.94 175.23 2d1p n SER 71 N 1.44 2.40 0.28 3.58 2.88 -0.61 -4.73 113.62 118.87 2d1p n SER 71 Ca -0.06 1.02 0.18 0.00 -1.33 0.00 0.00 58.87 58.67 2d1p n SER 71 Cb 0.50 -1.52 0.73 0.00 -0.75 0.00 0.00 64.21 63.17 2d1p n SER 71 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2d1p h ASN 72 N 1.62 0.00 1.43 -3.46 2.35 -1.96 -2.71 115.58 112.86 2d1p h ASN 72 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2d1p h ASN 72 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2d1p h ASN 72 CO 0.58 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.80 2d1p h ASP 73 N 0.00 0.00 -3.18 5.81 3.32 -1.97 -3.44 116.42 116.95 2d1p h ASP 73 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2d1p h ASP 73 Cb 0.47 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 2d1p h ASP 73 CO 0.00 0.00 -0.19 -0.63 -1.72 0.00 0.00 179.24 176.70 2d1p s ILE 74 N -3.44 5.11 -0.24 0.35 1.01 -1.02 -4.66 121.20 118.31 2d1p s ILE 74 Ca 0.04 0.86 -0.20 0.00 0.00 0.00 0.00 60.65 61.35 2d1p s ILE 74 Cb 0.07 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2d1p s ILE 74 CO 0.59 0.45 0.63 -0.63 0.00 0.00 0.00 174.94 175.98 2d1p s ILE 75 N -0.22 4.99 -0.02 2.92 1.01 -0.50 -4.90 121.20 124.49 2d1p s ILE 75 Ca 0.24 1.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.74 2d1p s ILE 75 Cb -0.16 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2d1p s ILE 75 CO 0.11 0.05 0.91 -0.76 0.00 0.00 0.00 174.94 175.25 2d1p s LEU 76 N 2.38 4.35 0.12 2.97 1.02 -1.26 -1.43 118.68 126.83 2d1p s LEU 76 Ca 0.26 1.54 0.00 0.00 0.02 0.00 0.00 54.13 55.95 2d1p s LEU 76 Cb -0.16 -3.45 -0.04 0.00 0.02 0.00 0.00 46.19 42.57 2d1p s LEU 76 CO 0.09 -0.23 0.01 0.27 0.02 0.00 0.00 176.35 176.51 2d1p s ILE 77 N 0.98 0.35 0.13 -0.59 -4.36 -0.81 -4.94 121.20 111.96 2d1p s ILE 77 Ca 0.48 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2d1p s ILE 77 Cb -0.20 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 41.62 2d1p s ILE 77 CO 0.25 -0.63 0.10 -0.90 0.24 0.00 0.00 174.94 174.00 2d1p n ASP 78 N -0.08 1.36 -0.28 4.36 5.68 -1.26 -0.17 116.55 126.15 2d1p n ASP 78 Ca -0.08 -1.44 -0.03 0.00 -0.50 0.00 0.00 54.79 52.74 2d1p n ASP 78 Cb 0.63 -0.01 0.14 0.00 -1.14 0.00 0.00 41.12 40.73 2d1p n ASP 78 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2d1p h TYR 79 N 0.51 1.12 -0.80 2.11 0.05 -1.99 -1.16 116.97 116.81 2d1p h TYR 79 Ca -0.08 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 2d1p h TYR 79 Cb 0.30 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 2d1p h TYR 79 CO 0.00 0.78 0.37 1.15 -1.05 0.00 0.00 178.16 179.41 2d1p h THR 80 N 1.15 1.25 -0.07 -2.88 2.02 -2.00 0.04 112.91 112.43 2d1p h THR 80 Ca 0.29 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 2d1p h THR 80 Cb 0.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2d1p h THR 80 CO -0.05 0.30 -0.47 0.44 0.37 0.00 0.00 175.52 176.12 2d1p h ASP 81 N 1.14 0.18 0.04 4.18 3.32 -1.85 -2.11 116.42 121.31 2d1p h ASP 81 Ca 0.27 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2d1p h ASP 81 Cb 0.13 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2d1p h ASP 81 CO -0.03 0.62 -0.02 0.15 -1.72 0.00 0.00 179.24 178.24 2d1p h PHE 82 N 0.14 -0.05 -0.31 4.55 3.04 -0.14 -0.03 116.94 124.14 2d1p h PHE 82 Ca 0.01 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.99 2d1p h PHE 82 Cb 0.88 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 2d1p h PHE 82 CO 0.01 0.04 0.09 0.28 -2.02 0.00 0.00 178.31 176.71 2d1p h VAL 83 N -0.12 0.89 0.00 1.41 2.07 -0.76 -1.03 116.25 118.71 2d1p h VAL 83 Ca -0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2d1p h VAL 83 Cb 0.10 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2d1p h VAL 83 CO 0.01 0.04 -0.11 0.03 0.02 0.00 0.00 177.57 177.56 2d1p h ARG 84 N 0.21 0.00 -0.02 1.57 3.08 -1.19 -0.59 114.38 117.45 2d1p h ARG 84 Ca 0.14 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 2d1p h ARG 84 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2d1p h ARG 84 CO -0.16 0.11 -0.80 1.25 -1.07 0.00 0.00 179.97 179.29 2d1p h LEU 85 N 0.00 0.25 -0.45 3.04 5.85 0.24 -1.22 115.31 123.02 2d1p h LEU 85 Ca -0.00 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2d1p h LEU 85 Cb 0.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2d1p h LEU 85 CO 0.01 0.95 -0.41 0.71 -0.34 0.00 0.00 178.44 179.36 2d1p h THR 86 N 0.12 0.80 -0.06 1.05 1.35 -0.17 -2.64 112.91 113.37 2d1p h THR 86 Ca -0.03 -1.83 -0.23 0.00 -0.55 0.00 0.00 66.41 63.77 2d1p h THR 86 Cb 1.40 2.17 0.01 0.00 -1.73 0.00 0.00 68.15 70.00 2d1p h THR 86 CO 0.12 0.41 -0.89 0.58 -0.25 0.00 0.00 175.52 175.49 2d1p h VAL 87 N 0.00 1.33 -0.43 6.82 2.07 -0.94 -3.27 116.25 121.82 2d1p h VAL 87 Ca -0.00 -2.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.20 2d1p h VAL 87 Cb 1.14 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 2d1p h VAL 87 CO 0.05 0.68 -0.19 0.50 0.02 0.00 0.00 177.57 178.63 2d1p h LYS 88 N 0.37 0.84 -5.29 1.57 3.64 -1.10 -3.43 116.57 113.17 2d1p h LYS 88 Ca -0.08 -0.33 -0.60 0.00 -1.27 0.00 0.00 60.65 58.37 2d1p h LYS 88 Cb 1.52 -0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 33.18 2d1p h LYS 88 CO 0.17 0.96 -0.45 -1.01 -2.27 0.00 0.00 179.45 176.84 2d1p s HIS 89 N -4.68 3.41 0.35 1.91 3.76 -1.01 -4.99 115.29 114.04 2d1p s HIS 89 Ca -0.10 0.37 0.06 0.00 -0.15 0.00 0.00 55.06 55.25 2d1p s HIS 89 Cb 0.13 -2.22 0.66 0.00 1.11 0.00 0.00 32.58 32.27 2d1p s HIS 89 CO 0.84 0.25 1.88 -1.35 -0.85 0.00 0.00 174.74 175.51 2d1p h PRO 90 N 6.79 0.39 -5.10 8.40 0.11 -1.83 -3.45 132.00 137.30 2d1p h PRO 90 Ca -0.41 -0.09 -0.35 0.00 0.11 0.00 0.00 66.00 65.26 2d1p h PRO 90 Cb 1.16 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 2d1p h PRO 90 CO 0.75 0.49 -0.69 -1.54 -0.21 0.00 0.00 178.00 176.79 2d1p s SER 91 N -6.81 1.85 -0.03 -2.05 1.04 -1.26 -5.09 113.70 101.35 2d1p s SER 91 Ca -0.07 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.28 2d1p s SER 91 Cb 0.15 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2d1p s SER 91 CO 0.75 -0.39 -0.03 -1.58 0.98 0.00 0.00 173.24 172.97 2d1p s GLN 92 N -3.79 0.50 -0.40 4.02 0.74 -1.26 -1.72 119.66 117.75 2d1p s GLN 92 Ca 0.22 -0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.50 2d1p s GLN 92 Cb 0.04 -0.58 0.07 0.00 1.10 0.00 0.00 33.01 33.64 2d1p s GLN 92 CO 0.04 -0.07 0.22 -1.64 -0.55 0.00 0.00 175.29 173.30 2d1p s MET 93 N 0.74 2.59 -0.28 1.67 -1.94 -0.46 -4.97 119.30 116.65 2d1p s MET 93 Ca -0.08 -1.40 -0.18 0.00 -1.71 0.00 0.00 55.69 52.31 2d1p s MET 93 Cb -0.12 -3.70 -0.02 0.00 2.01 0.00 0.00 34.83 33.00 2d1p s MET 93 CO -0.01 -0.89 0.53 0.00 -0.01 0.00 0.00 175.02 174.64 2d1p s ALA 94 N 1.41 3.56 -1.59 3.03 0.00 -1.26 -1.28 121.76 125.63 2d1p s ALA 94 Ca 0.02 -0.69 0.13 0.00 0.00 0.00 0.00 51.96 51.42 2d1p s ALA 94 Cb -0.22 -2.94 0.10 0.00 0.00 0.00 0.00 23.12 20.06 2d1p s ALA 94 CO 0.02 -0.88 0.90 0.91 0.00 0.00 0.00 175.76 176.72