#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p4p n ALA 0 N 0.00 0.00 -2.83 5.41 0.00 -1.26 -5.23 120.51 116.60 2p4p n ALA 0 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2p4p n ALA 0 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2p4p n ALA 0 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2p4p s ARG 2 N -0.09 0.54 0.24 0.00 1.70 -1.26 -5.22 118.95 114.87 2p4p s ARG 2 Ca 0.00 -0.68 -0.31 0.00 -0.47 0.00 0.00 55.73 54.27 2p4p s ARG 2 Cb 0.00 -0.36 -0.12 0.00 -0.57 0.00 0.00 34.95 33.90 2p4p s ARG 2 CO 0.00 0.07 1.67 1.03 -1.08 0.00 0.00 175.30 176.99 2p4p s ARG 3 N -1.34 4.12 -0.53 3.89 0.52 -1.26 -4.95 118.95 119.40 2p4p s ARG 3 Ca -0.07 2.59 -0.28 0.00 -0.52 0.00 0.00 55.73 57.46 2p4p s ARG 3 Cb -0.09 -3.05 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 2p4p s ARG 3 CO 0.00 -0.70 1.59 1.21 0.02 0.00 0.00 175.30 177.43 2p4p s ASN 4 N 0.88 5.88 0.27 0.23 2.47 -1.26 -4.99 114.94 118.42 2p4p s ASN 4 Ca 0.70 0.49 0.04 0.00 0.42 0.00 0.00 52.86 54.51 2p4p s ASN 4 Cb -0.49 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 36.72 2p4p s ASN 4 CO 0.39 -1.87 0.00 -1.61 -3.72 0.00 0.00 177.10 170.30 2p4p s GLU 5 N 5.90 1.48 0.29 0.43 2.02 -1.26 -5.10 118.70 122.45 2p4p s GLU 5 Ca 0.61 -1.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 2p4p s GLU 5 Cb -0.13 -0.81 -0.12 0.00 0.10 0.00 0.00 34.13 33.16 2p4p s GLU 5 CO 0.26 -0.09 1.50 -0.40 0.02 0.00 0.00 175.26 176.54 2p4p n ASP 6 N -0.54 3.39 -3.61 -0.19 5.75 -1.26 -4.97 116.55 115.12 2p4p n ASP 6 Ca -0.04 1.16 -0.10 0.00 -0.01 0.00 0.00 54.79 55.79 2p4p n ASP 6 Cb 0.65 -1.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.17 2p4p n ASP 6 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2p4p s SER 7 N 0.30 -0.37 -0.00 -1.12 1.04 -1.26 -4.38 113.70 107.90 2p4p s SER 7 Ca 0.64 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.85 2p4p s SER 7 Cb -0.55 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 2p4p s SER 7 CO 0.52 -1.01 -0.21 0.26 0.98 0.00 0.00 173.24 173.77 2p4p s TRP 8 N -3.82 1.90 -0.23 5.02 0.51 -0.28 -4.96 118.94 117.08 2p4p s TRP 8 Ca 0.05 -0.36 -0.11 0.00 -2.12 0.00 0.00 56.10 53.55 2p4p s TRP 8 Cb -0.01 -1.21 -0.05 0.00 -0.81 0.00 0.00 33.47 31.40 2p4p s TRP 8 CO -0.08 -0.00 0.20 -1.17 -0.51 0.00 0.00 176.95 175.39 2p4p s LEU 9 N -0.65 4.12 0.03 2.99 2.96 -1.26 -0.90 118.68 125.97 2p4p s LEU 9 Ca 0.08 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 2p4p s LEU 9 Cb -0.08 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2p4p s LEU 9 CO -0.00 0.04 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.47 2p4p s ILE 10 N 1.09 0.68 0.19 6.68 2.07 0.41 -4.98 121.20 127.34 2p4p s ILE 10 Ca 0.10 -0.77 -0.30 0.00 -1.41 0.00 0.00 60.65 58.27 2p4p s ILE 10 Cb -0.14 -0.65 -0.08 0.00 0.13 0.00 0.00 42.46 41.72 2p4p s ILE 10 CO 0.05 -0.09 1.26 -0.62 -1.91 0.00 0.00 174.94 173.62 2p4p s ASP 11 N -0.95 6.98 0.62 4.50 -1.08 -1.26 -0.78 116.67 124.70 2p4p s ASP 11 Ca -0.02 2.33 0.41 0.00 -0.52 0.00 0.00 52.55 54.74 2p4p s ASP 11 Cb -0.07 -2.61 2.11 0.00 -1.46 0.00 0.00 42.92 40.90 2p4p s ASP 11 CO 0.00 -0.45 2.24 1.23 0.52 0.00 0.00 175.17 178.71 2p4p h GLY 12 N 5.27 0.00 -0.49 2.66 0.00 -0.45 -2.08 103.07 107.97 2p4p h GLY 12 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2p4p h GLY 12 CO 0.76 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.30 2p4p n ALA 13 N -2.06 2.57 -1.82 3.60 0.00 -1.26 -1.23 120.51 120.31 2p4p n ALA 13 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 2p4p n ALA 13 Cb 0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2p4p n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2p4p s THR 14 N -1.97 2.29 0.20 0.00 2.01 -0.78 -4.81 115.64 112.58 2p4p s THR 14 Ca 0.37 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 2p4p s THR 14 Cb 0.20 -3.14 -0.16 0.00 0.01 0.00 0.00 72.50 69.42 2p4p s THR 14 CO 0.32 0.02 1.05 -2.65 -0.69 0.00 0.00 174.62 172.67 2p4p n PRO 15 N 3.76 1.03 -0.14 4.92 -0.02 -1.26 -1.13 135.00 142.16 2p4p n PRO 15 Ca 0.14 0.36 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 2p4p n PRO 15 Cb 0.37 -1.77 0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2p4p n PRO 15 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2p4p h LEU 16 N 2.74 0.04 -1.03 2.45 5.85 -1.38 -2.73 115.31 121.25 2p4p h LEU 16 Ca -0.41 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2p4p h LEU 16 Cb 1.36 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 2p4p h LEU 16 CO 0.66 0.06 0.43 -0.33 -0.34 0.00 0.00 178.44 178.91 2p4p h GLU 17 N 0.25 1.11 -0.72 1.25 3.07 -1.90 -2.68 114.58 114.96 2p4p h GLU 17 Ca 0.22 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2p4p h GLU 17 Cb 0.27 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2p4p h GLU 17 CO -0.28 0.82 0.47 -0.44 -1.40 0.00 0.00 179.01 178.18 2p4p h ASP 18 N 1.11 0.84 0.00 1.42 5.19 -1.86 -0.09 116.42 123.03 2p4p h ASP 18 Ca 0.28 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2p4p h ASP 18 Cb 0.04 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.34 2p4p h ASP 18 CO -0.04 0.62 0.00 0.52 -3.12 0.00 0.00 179.24 177.21 2p4p n VAL 19 N -4.57 0.10 0.00 -1.35 0.31 -1.01 -1.78 118.33 110.03 2p4p n VAL 19 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2p4p n VAL 19 Cb 0.03 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 2p4p n VAL 19 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2p4p n ARG 21 N 0.40 0.00 0.28 5.55 0.63 -0.05 -1.52 116.66 121.96 2p4p n ARG 21 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2p4p n ARG 21 Cb 0.13 0.00 0.81 0.00 0.45 0.00 0.00 32.46 33.85 2p4p n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2p4p h ALA 22 N 0.00 1.57 -0.34 5.13 0.00 -1.60 -1.76 119.26 122.26 2p4p h ALA 22 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2p4p h ALA 22 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2p4p h ALA 22 CO 0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2p4p n LEU 23 N -3.96 3.29 -3.19 0.00 4.77 -0.57 -4.96 117.00 112.39 2p4p n LEU 23 Ca -0.03 -1.39 -0.23 0.00 -0.03 0.00 0.00 56.01 54.34 2p4p n LEU 23 Cb 0.12 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 2p4p n LEU 23 CO 0.30 0.69 0.11 -3.20 -1.33 0.00 0.00 177.39 173.95 2p4p n ASN 24 N 1.40 -6.15 -4.66 -1.43 5.15 -0.66 -4.98 115.26 103.93 2p4p n ASN 24 Ca 0.19 -0.39 -0.40 0.00 -0.60 0.00 0.00 54.58 53.38 2p4p n ASN 24 Cb 0.59 -4.89 -0.06 0.00 -0.53 0.00 0.00 39.78 34.89 2p4p n ASN 24 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2p4p s ILE 25 N -3.23 5.05 -0.97 -1.44 1.01 -1.26 -4.95 121.20 115.41 2p4p s ILE 25 Ca 0.42 1.07 0.10 0.00 0.00 0.00 0.00 60.65 62.23 2p4p s ILE 25 Cb -0.18 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2p4p s ILE 25 CO 0.52 0.13 0.67 1.41 0.00 0.00 0.00 174.94 177.67 2p4p n HIS 26 N 5.02 0.00 -4.02 3.97 8.25 -1.26 -4.49 115.22 122.68 2p4p n HIS 26 Ca -0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.12 2p4p n HIS 26 Cb 0.50 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 2p4p n HIS 26 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2p4p s THR 27 N -1.15 2.06 0.16 1.59 2.01 -1.26 -5.09 115.64 113.96 2p4p s THR 27 Ca 0.09 -1.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.05 2p4p s THR 27 Cb 0.08 -2.32 0.06 0.00 0.01 0.00 0.00 72.50 70.33 2p4p s THR 27 CO 0.20 -0.25 0.70 0.72 -0.69 0.00 0.00 174.62 175.30 2p4p s PHE 28 N 1.10 -0.40 0.16 4.92 -0.71 -1.26 -4.98 117.98 116.80 2p4p s PHE 28 Ca -0.01 0.15 -0.33 0.00 -1.04 0.00 0.00 56.93 55.69 2p4p s PHE 28 Cb -0.19 0.59 -0.13 0.00 -1.21 0.00 0.00 43.02 42.08 2p4p s PHE 28 CO -0.07 -0.88 1.66 -2.30 -1.34 0.00 0.00 175.22 172.29 2p4p n PRO 29 N -0.38 2.37 0.00 1.99 -0.02 -1.26 -4.91 135.00 132.79 2p4p n PRO 29 Ca -0.12 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 2p4p n PRO 29 Cb 0.63 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2p4p n PRO 29 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2p4p n ARG 30 N 3.93 1.55 0.29 -0.52 5.12 -1.26 -4.65 116.66 121.12 2p4p n ARG 30 Ca 0.17 -0.66 0.18 0.00 -1.93 0.00 0.00 57.85 55.62 2p4p n ARG 30 Cb 0.31 -1.05 0.81 0.00 -1.16 0.00 0.00 32.46 31.38 2p4p n ARG 30 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2p4p h ASP 31 N 1.04 0.00 -0.86 0.55 2.03 -1.99 -3.47 116.42 113.72 2p4p h ASP 31 Ca 0.00 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.02 2p4p h ASP 31 Cb 0.27 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.68 2p4p h ASP 31 CO 0.00 0.00 -0.27 -0.62 -1.03 0.00 0.00 179.24 177.32 2p4p n GLU 32 N -3.05 -0.99 0.21 4.15 1.02 -1.26 -4.90 120.64 115.82 2p4p n GLU 32 Ca -0.00 0.94 0.06 0.00 -0.02 0.00 0.00 57.16 58.14 2p4p n GLU 32 Cb 0.24 -5.06 0.45 0.00 -0.02 0.00 0.00 31.44 27.06 2p4p n GLU 32 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2p4p h ASN 33 N 0.00 0.00 -3.51 1.62 2.35 -1.95 -3.37 115.58 110.71 2p4p h ASN 33 Ca -0.29 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.83 2p4p h ASN 33 Cb 0.96 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.93 2p4p h ASN 33 CO 0.41 0.30 -0.74 -0.31 -1.65 0.00 0.00 177.43 175.44 2p4p s TYR 34 N -4.07 2.96 0.14 1.19 2.02 -1.26 -4.99 117.35 113.34 2p4p s TYR 34 Ca -0.02 -2.47 0.25 0.00 -0.37 0.00 0.00 57.07 54.46 2p4p s TYR 34 Cb 0.13 -2.39 0.99 0.00 -0.40 0.00 0.00 41.96 40.29 2p4p s TYR 34 CO 0.68 -0.91 1.85 0.93 -1.57 0.00 0.00 175.55 176.53 2p4p h GLU 35 N 7.80 0.00 -5.93 -0.62 4.39 -1.96 -3.43 114.58 114.83 2p4p h GLU 35 Ca -0.09 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.08 2p4p h GLU 35 Cb 1.02 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.52 2p4p h GLU 35 CO 0.49 0.20 -0.76 0.95 -1.16 0.00 0.00 179.01 178.73 2p4p s THR 36 N -3.68 2.06 0.22 1.13 -4.23 -1.26 -1.18 115.64 108.70 2p4p s THR 36 Ca 0.00 -2.21 -0.08 0.00 -1.18 0.00 0.00 61.69 58.22 2p4p s THR 36 Cb 0.10 -2.10 0.16 0.00 1.34 0.00 0.00 72.50 72.00 2p4p s THR 36 CO 0.62 -0.44 1.82 -0.29 -0.54 0.00 0.00 174.62 175.79 2p4p h ILE 37 N 2.63 0.99 -0.26 2.99 6.09 -1.19 -1.19 117.51 127.57 2p4p h ILE 37 Ca -0.40 -0.26 -0.11 0.00 -1.37 0.00 0.00 64.86 62.72 2p4p h ILE 37 Cb 1.23 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 2p4p h ILE 37 CO 0.58 0.14 -0.31 1.23 -3.07 0.00 0.00 178.15 176.72 2p4p h GLY 38 N 0.76 0.59 0.94 8.18 0.00 -1.43 -3.03 103.07 109.07 2p4p h GLY 38 Ca 0.32 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2p4p h GLY 38 CO -0.18 0.48 0.10 -1.33 0.00 0.00 0.00 176.54 175.60 2p4p h GLY 39 N 1.04 0.27 -7.07 4.60 0.00 -1.57 -3.43 103.07 96.90 2p4p h GLY 39 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 47.33 47.04 2p4p h GLY 39 CO 0.06 0.12 0.59 0.33 0.00 0.00 0.00 176.54 177.64 2p4p n PHE 40 N -4.91 0.92 -0.99 5.60 7.35 -0.52 -4.97 117.46 119.95 2p4p n PHE 40 Ca -0.04 -0.48 0.00 0.00 -0.76 0.00 0.00 57.45 56.18 2p4p n PHE 40 Cb 0.08 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 37.81 2p4p n PHE 40 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2p4p n TYR 43 N 16.00 0.00 0.00 -5.13 9.36 -1.26 -5.02 117.16 131.11 2p4p n TYR 43 Ca 0.43 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.65 2p4p n TYR 43 Cb 0.45 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 2p4p n TYR 43 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2p4p n LEU 45 N 0.00 0.00 -0.08 2.98 4.77 -1.26 -5.19 117.00 118.22 2p4p n LEU 45 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2p4p n LEU 45 Cb 0.01 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2p4p n LEU 45 CO 0.00 0.00 -0.01 0.54 -1.33 0.00 0.00 177.39 176.59 2p4p n ARG 46 N 0.00 -1.56 -2.92 3.23 1.74 -1.26 -5.08 116.66 110.80 2p4p n ARG 46 Ca 0.00 0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 57.12 2p4p n ARG 46 Cb 0.00 -4.64 -0.04 0.00 -1.02 0.00 0.00 32.46 26.76 2p4p n ARG 46 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2p4p s ILE 48 N -1.30 4.96 0.75 0.55 -1.09 -1.26 -5.32 121.20 118.49 2p4p s ILE 48 Ca 0.00 1.65 -0.11 0.00 -2.23 0.00 0.00 60.65 59.95 2p4p s ILE 48 Cb 0.00 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2p4p s ILE 48 CO 0.00 0.17 1.09 -2.16 -1.23 0.00 0.00 174.94 172.81 2p4p s PRO 49 N 1.19 2.50 0.00 2.79 0.04 -1.26 -5.12 135.00 135.14 2p4p s PRO 49 Ca 0.41 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2p4p s PRO 49 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2p4p s PRO 49 CO 0.19 -1.32 0.00 0.25 0.04 0.00 0.00 177.00 176.16 2p4p n THR 52 N -3.23 0.00 -1.72 1.26 -2.24 -0.41 -4.98 114.28 102.96 2p4p n THR 52 Ca 0.07 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 2p4p n THR 52 Cb 0.56 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.86 2p4p n THR 52 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2p4p n ASP 53 N 0.00 2.07 -3.83 3.42 8.00 -1.26 -4.69 116.55 120.26 2p4p n ASP 53 Ca 0.00 0.83 -0.11 0.00 0.71 0.00 0.00 54.79 56.22 2p4p n ASP 53 Cb 0.00 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 39.46 2p4p n ASP 53 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2p4p s PHE 54 N -1.40 0.02 -0.07 1.24 -0.12 -1.26 -0.46 117.98 115.94 2p4p s PHE 54 Ca 0.83 -0.22 0.05 0.00 -0.05 0.00 0.00 56.93 57.54 2p4p s PHE 54 Cb -0.38 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 2p4p s PHE 54 CO 0.40 -0.43 -0.22 0.08 -0.05 0.00 0.00 175.22 175.00 2p4p s VAL 55 N -2.47 2.31 -0.27 -2.49 1.01 0.34 -4.97 120.40 113.86 2p4p s VAL 55 Ca -0.06 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 2p4p s VAL 55 Cb -0.01 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2p4p s VAL 55 CO -0.03 0.57 0.22 -0.76 0.00 0.00 0.00 175.10 175.10 2p4p s LEU 56 N -0.15 4.03 -0.09 3.92 1.43 -1.26 -0.75 118.68 125.81 2p4p s LEU 56 Ca -0.03 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2p4p s LEU 56 Cb -0.14 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.94 2p4p s LEU 56 CO 0.04 -0.06 0.23 -0.47 0.23 0.00 0.00 176.35 176.31 2p4p s TYR 57 N 1.75 -0.29 0.00 0.29 5.04 -1.26 -5.01 117.35 117.87 2p4p s TYR 57 Ca 0.09 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 2p4p s TYR 57 Cb -0.16 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.20 2p4p s TYR 57 CO 0.10 -0.19 0.00 -3.47 -1.34 0.00 0.00 175.55 170.65 2p4p n ASP 58 N 3.79 0.00 0.00 4.32 2.03 -1.26 -4.97 116.55 120.45 2p4p n ASP 58 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2p4p n ASP 58 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2p4p n ASP 58 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2p4p n TYR 60 N 0.00 0.00 -3.20 -0.67 4.01 -1.26 -4.95 117.16 111.08 2p4p n TYR 60 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2p4p n TYR 60 Cb 0.00 0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2p4p n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2p4p s PHE 62 N 0.00 -0.45 -0.16 -0.72 0.40 0.07 -4.39 117.98 112.73 2p4p s PHE 62 Ca 0.00 0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2p4p s PHE 62 Cb 0.00 0.19 -0.01 0.00 0.51 0.00 0.00 43.02 43.71 2p4p s PHE 62 CO 0.00 -0.24 -0.09 -2.00 0.70 0.00 0.00 175.22 173.59 2p4p s GLU 63 N 2.70 3.42 0.01 0.44 2.12 -1.26 -0.50 118.70 125.63 2p4p s GLU 63 Ca -0.02 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 2p4p s GLU 63 Cb -0.08 -2.79 -0.07 0.00 0.26 0.00 0.00 34.13 31.45 2p4p s GLU 63 CO -0.13 0.08 1.70 0.42 -0.54 0.00 0.00 175.26 176.80 2p4p s ILE 64 N 0.72 3.30 -0.14 -3.70 1.01 0.39 -4.35 121.20 118.43 2p4p s ILE 64 Ca -0.04 0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 2p4p s ILE 64 Cb -0.15 -3.33 -0.25 0.00 0.01 0.00 0.00 42.46 38.74 2p4p s ILE 64 CO 0.02 -0.03 0.41 0.40 0.00 0.00 0.00 174.94 175.74 2p4p h ILE 65 N 5.30 0.90 -2.66 2.92 1.08 -0.91 -1.07 117.51 123.07 2p4p h ILE 65 Ca -0.42 -2.32 -0.07 0.00 -0.39 0.00 0.00 64.86 61.66 2p4p h ILE 65 Cb 1.20 2.53 -0.17 0.00 -3.07 0.00 0.00 36.82 37.31 2p4p h ILE 65 CO 0.94 0.65 0.02 1.51 -0.69 0.00 0.00 178.15 180.58 2p4p s ASP 66 N -6.97 -0.44 0.10 1.72 1.47 -1.05 -4.71 116.67 106.78 2p4p s ASP 66 Ca -0.23 0.27 0.04 0.00 1.18 0.00 0.00 52.55 53.81 2p4p s ASP 66 Cb 0.05 0.47 -0.04 0.00 -0.34 0.00 0.00 42.92 43.06 2p4p s ASP 66 CO 0.72 -0.65 0.05 0.42 0.68 0.00 0.00 175.17 176.39 2p4p s THR 67 N -2.02 4.29 -0.16 2.11 -4.23 -1.26 -0.94 115.64 113.43 2p4p s THR 67 Ca -0.08 -0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 2p4p s THR 67 Cb -0.01 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.80 2p4p s THR 67 CO 0.02 0.08 0.52 -1.83 -0.54 0.00 0.00 174.62 172.87 2p4p s GLU 68 N -2.47 0.66 -1.48 3.99 -1.05 -0.14 -4.81 118.70 113.39 2p4p s GLU 68 Ca 0.28 0.59 -0.07 0.00 -0.15 0.00 0.00 54.97 55.62 2p4p s GLU 68 Cb -0.12 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2p4p s GLU 68 CO 0.21 -0.11 0.71 0.09 0.95 0.00 0.00 175.26 177.11 2p4p n ASN 69 N 2.46 -5.67 -1.63 0.83 3.02 -1.26 -1.96 115.26 111.05 2p4p n ASN 69 Ca -0.15 -0.38 -0.17 0.00 -0.03 0.00 0.00 54.58 53.85 2p4p n ASN 69 Cb 0.56 -4.57 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 2p4p n ASN 69 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2p4p n PHE 70 N -4.52 -0.42 -4.27 3.10 3.72 -1.26 -4.99 117.46 108.83 2p4p n PHE 70 Ca -0.06 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.19 2p4p n PHE 70 Cb 0.59 -3.18 -0.10 0.00 -0.94 0.00 0.00 39.48 35.85 2p4p n PHE 70 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2p4p s ARG 71 N -4.16 1.13 -0.26 -1.08 1.81 -0.83 -5.06 118.95 110.50 2p4p s ARG 71 Ca 0.00 -1.52 -0.29 0.00 -1.72 0.00 0.00 55.73 52.20 2p4p s ARG 71 Cb 0.00 -0.56 -0.00 0.00 -0.45 0.00 0.00 34.95 33.94 2p4p s ARG 71 CO 0.00 -0.00 1.31 0.42 -0.68 0.00 0.00 175.30 176.35 2p4p s ILE 72 N -3.41 4.15 -0.17 1.52 1.01 -1.26 -0.96 121.20 122.07 2p4p s ILE 72 Ca 0.21 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.99 2p4p s ILE 72 Cb 0.04 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 2p4p s ILE 72 CO 0.03 -0.38 0.21 -0.78 0.00 0.00 0.00 174.94 174.03 2p4p h ASP 73 N 9.11 0.00 -4.28 3.58 3.58 -1.32 -3.31 116.42 123.77 2p4p h ASP 73 Ca -0.27 -0.45 -0.38 0.00 0.42 0.00 0.00 57.03 56.36 2p4p h ASP 73 Cb 1.10 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 41.90 2p4p h ASP 73 CO 1.02 1.16 -0.77 -1.10 -2.88 0.00 0.00 179.24 176.66 2p4p s GLN 74 N -2.24 0.74 0.00 0.28 -0.21 -1.09 0.07 119.66 117.21 2p4p s GLN 74 Ca -0.22 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.59 2p4p s GLN 74 Cb 0.03 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 33.35 2p4p s GLN 74 CO 0.48 0.17 0.00 1.47 -2.12 0.00 0.00 175.29 175.29 2p4p n LEU 75 N 2.20 0.00 -3.64 2.90 -0.00 0.04 -0.20 117.00 118.30 2p4p n LEU 75 Ca -0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.77 2p4p n LEU 75 Cb 0.56 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.91 2p4p n LEU 75 CO 0.23 0.00 0.68 -0.69 -0.00 0.00 0.00 177.39 177.61 2p4p s VAL 77 N 1.51 0.00 0.23 1.47 1.01 -0.08 -0.45 120.40 124.10 2p4p s VAL 77 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 2p4p s VAL 77 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2p4p s VAL 77 CO 0.00 0.00 0.30 -0.94 0.00 0.00 0.00 175.10 174.46 2p4p s SER 78 N 0.70 0.07 0.38 3.32 1.04 -1.26 -1.13 113.70 116.82 2p4p s SER 78 Ca -0.02 -1.18 -0.26 0.00 0.48 0.00 0.00 55.95 54.96 2p4p s SER 78 Cb -0.05 0.49 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 2p4p s SER 78 CO -0.10 -1.00 1.24 -0.36 0.98 0.00 0.00 173.24 174.01 2p4p s PHE 79 N -4.06 3.00 0.00 5.02 0.08 -1.26 -4.42 117.98 116.35 2p4p s PHE 79 Ca 0.31 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2p4p s PHE 79 Cb 0.03 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2p4p s PHE 79 CO 0.11 -1.68 0.00 2.89 -0.10 0.00 0.00 175.22 176.44 2p4p n ARG 80 N 0.31 0.02 0.00 0.44 1.85 -1.26 -4.92 116.66 113.10 2p4p n ARG 80 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 2p4p n ARG 80 Cb 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 2p4p n ARG 80 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22