#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r78 n GLY 5 N 0.00 -0.76 0.00 -0.72 0.00 -1.26 -4.96 105.19 97.48 2r78 n GLY 5 Ca 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.35 2r78 n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r78 n THR 6 N -3.03 0.11 0.89 2.61 -2.24 -1.26 -2.90 114.28 108.46 2r78 n THR 6 Ca 0.12 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 2r78 n THR 6 Cb 0.41 -0.63 0.48 0.00 -2.10 0.00 0.00 70.33 68.49 2r78 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r78 n GLU 7 N -1.13 0.07 -2.47 -0.78 4.71 -1.26 -4.69 120.64 115.10 2r78 n GLU 7 Ca 0.16 0.05 -0.35 0.00 -0.01 0.00 0.00 57.16 57.00 2r78 n GLU 7 Cb 0.14 -1.57 -0.03 0.00 -1.01 0.00 0.00 31.44 28.97 2r78 n GLU 7 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2r78 s ASN 8 N -3.39 6.35 0.40 1.62 2.20 -1.14 -4.86 114.94 116.11 2r78 s ASN 8 Ca 0.12 2.05 0.08 0.00 -0.94 0.00 0.00 52.86 54.17 2r78 s ASN 8 Cb 0.17 -2.58 0.85 0.00 -2.00 0.00 0.00 41.25 37.70 2r78 s ASN 8 CO 0.59 -0.78 2.01 0.25 -2.94 0.00 0.00 177.10 176.23 2r78 h LEU 9 N 1.83 0.51 0.18 3.54 5.85 -1.92 -1.25 115.31 124.05 2r78 h LEU 9 Ca -0.49 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2r78 h LEU 9 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2r78 h LEU 9 CO 0.60 0.35 -0.08 0.22 -0.34 0.00 0.00 178.44 179.18 2r78 h TYR 10 N 0.59 -0.22 -0.13 1.25 3.20 -1.97 -1.84 116.97 117.86 2r78 h TYR 10 Ca 0.23 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2r78 h TYR 10 Cb 0.16 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2r78 h TYR 10 CO -0.00 0.20 -0.22 0.35 -1.64 0.00 0.00 178.16 176.85 2r78 h PHE 11 N -0.81 -0.58 -0.31 -3.82 3.57 -1.87 -0.03 116.94 113.08 2r78 h PHE 11 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2r78 h PHE 11 Cb 0.52 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2r78 h PHE 11 CO 0.08 -0.30 0.13 1.96 -2.23 0.00 0.00 178.31 177.94 2r78 h GLN 12 N -0.28 0.47 -0.67 1.11 4.20 -1.28 0.12 115.11 118.78 2r78 h GLN 12 Ca 0.10 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2r78 h GLN 12 Cb 0.43 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2r78 h GLN 12 CO -0.29 0.47 0.24 0.66 -0.67 0.00 0.00 178.83 179.24 2r78 h SER 13 N 0.36 0.95 -0.62 1.46 4.64 -1.24 -0.75 113.55 118.35 2r78 h SER 13 Ca 0.10 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2r78 h SER 13 Cb 0.18 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2r78 h SER 13 CO -0.01 0.88 0.40 0.78 -0.87 0.00 0.00 176.83 178.02 2r78 h ASN 14 N 0.97 0.68 -0.62 4.97 2.35 -0.55 -2.30 115.58 121.07 2r78 h ASN 14 Ca 0.22 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 2r78 h ASN 14 Cb 0.25 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2r78 h ASN 14 CO -0.01 0.49 0.17 0.00 -1.65 0.00 0.00 177.43 176.42 2r78 h ALA 15 N 1.24 0.82 -0.03 -0.83 0.00 -0.45 -1.13 119.26 118.88 2r78 h ALA 15 Ca 0.23 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2r78 h ALA 15 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2r78 h ALA 15 CO -0.07 0.51 -0.03 -0.92 0.00 0.00 0.00 179.25 178.74 2r78 h TYR 16 N 0.90 -0.08 -0.61 0.00 3.20 -0.96 0.80 116.97 120.22 2r78 h TYR 16 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2r78 h TYR 16 Cb 0.33 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2r78 h TYR 16 CO 0.02 -0.06 0.24 0.00 -1.64 0.00 0.00 178.16 176.72 2r78 h ARG 17 N -0.05 0.90 -0.25 1.82 2.47 -1.02 0.16 114.38 118.42 2r78 h ARG 17 Ca 0.03 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.50 2r78 h ARG 17 Cb 0.08 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2r78 h ARG 17 CO -0.06 0.74 -0.22 0.00 0.56 0.00 0.00 179.97 180.99 2r78 h ALA 18 N 1.37 0.36 -0.28 0.04 0.00 -0.98 -0.99 119.26 118.79 2r78 h ALA 18 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2r78 h ALA 18 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2r78 h ALA 18 CO -0.02 0.31 0.18 -0.07 0.00 0.00 0.00 179.25 179.65 2r78 h LEU 19 N 0.29 0.31 -0.24 0.00 3.38 -0.46 -0.74 115.31 117.86 2r78 h LEU 19 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2r78 h LEU 19 Cb 0.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2r78 h LEU 19 CO 0.06 0.22 0.16 0.15 0.09 0.00 0.00 178.44 179.12 2r78 h PHE 20 N 0.37 0.30 -0.28 1.13 3.57 -0.56 -1.06 116.94 120.41 2r78 h PHE 20 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2r78 h PHE 20 Cb -0.03 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2r78 h PHE 20 CO -0.06 0.20 0.04 1.49 -2.23 0.00 0.00 178.31 177.74 2r78 h GLU 21 N 0.32 0.47 0.00 1.11 4.57 -1.01 -3.33 114.58 116.70 2r78 h GLU 21 Ca 0.09 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2r78 h GLU 21 Cb -0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2r78 h GLU 21 CO -0.02 0.59 -0.94 0.72 -1.18 0.00 0.00 179.01 178.18 2r78 n HIS 22 N -4.65 0.16 -1.78 0.92 8.25 -0.30 -4.64 115.22 113.18 2r78 n HIS 22 Ca -0.03 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2r78 n HIS 22 Cb 0.21 -0.32 0.02 0.00 1.12 0.00 0.00 29.99 31.02 2r78 n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2r78 s ALA 23 N -3.13 3.24 0.06 -1.41 0.00 -0.41 -4.92 121.76 115.19 2r78 s ALA 23 Ca 0.06 1.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.46 2r78 s ALA 23 Cb 0.15 -3.60 -0.28 0.00 0.00 0.00 0.00 23.12 19.39 2r78 s ALA 23 CO 0.80 -1.21 1.08 0.82 0.00 0.00 0.00 175.76 177.24 2r78 h ILE 24 N 2.30 1.42 -4.14 0.00 1.08 -1.92 -3.41 117.51 112.84 2r78 h ILE 24 Ca -0.51 -3.01 -0.51 0.00 -0.39 0.00 0.00 64.86 60.44 2r78 h ILE 24 Cb 1.27 2.90 0.10 0.00 -3.07 0.00 0.00 36.82 38.01 2r78 h ILE 24 CO 0.61 0.87 0.41 -1.81 -0.69 0.00 0.00 178.15 177.54 2r78 s ASP 25 N -7.10 5.30 0.35 1.72 1.01 -1.26 -4.84 116.67 111.84 2r78 s ASP 25 Ca -0.05 2.14 -0.27 0.00 0.71 0.00 0.00 52.55 55.08 2r78 s ASP 25 Cb 0.07 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 2r78 s ASP 25 CO 0.88 -1.51 1.11 -0.83 0.21 0.00 0.00 175.17 175.03 2r78 s GLY 26 N -2.11 2.92 -0.02 0.21 0.00 0.40 -4.67 107.32 104.04 2r78 s GLY 26 Ca 0.71 0.87 0.02 0.00 0.00 0.00 0.00 44.72 46.32 2r78 s GLY 26 CO 0.35 1.40 -0.05 -0.42 0.00 0.00 0.00 173.10 174.38 2r78 s ILE 27 N -1.37 0.50 0.06 0.90 1.01 -1.26 -0.84 121.20 120.20 2r78 s ILE 27 Ca 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 2r78 s ILE 27 Cb -0.29 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 2r78 s ILE 27 CO 0.37 0.17 0.05 0.72 0.00 0.00 0.00 174.94 176.25 2r78 s PHE 28 N 0.29 0.40 0.43 3.97 -0.12 -0.12 -1.73 117.98 121.10 2r78 s PHE 28 Ca -0.03 -0.90 0.04 0.00 -0.05 0.00 0.00 56.93 55.98 2r78 s PHE 28 Cb -0.07 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2r78 s PHE 28 CO -0.00 -0.44 0.03 0.42 -0.05 0.00 0.00 175.22 175.18 2r78 s ILE 29 N -3.90 1.35 0.48 -4.49 -1.09 -0.13 -0.35 121.20 113.08 2r78 s ILE 29 Ca 0.06 -2.00 0.05 0.00 -2.23 0.00 0.00 60.65 56.54 2r78 s ILE 29 Cb 0.07 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2r78 s ILE 29 CO -0.10 0.00 0.22 1.51 -1.23 0.00 0.00 174.94 175.34 2r78 s ASP 31 N -3.72 4.44 0.61 3.58 1.47 -0.19 -0.15 116.67 122.71 2r78 s ASP 31 Ca 0.23 -1.27 0.40 0.00 1.18 0.00 0.00 52.55 53.09 2r78 s ASP 31 Cb 0.06 0.08 1.94 0.00 -0.34 0.00 0.00 42.92 44.66 2r78 s ASP 31 CO 0.12 -0.82 2.20 0.00 0.68 0.00 0.00 175.17 177.34 2r78 h ALA 32 N 1.16 1.00 -0.12 2.11 0.00 -1.90 -0.88 119.26 120.62 2r78 h ALA 32 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2r78 h ALA 32 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2r78 h ALA 32 CO 0.66 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.30 2r78 n GLU 33 N -3.09 1.69 -0.56 0.00 4.71 -1.26 -4.94 120.64 117.19 2r78 n GLU 33 Ca -0.01 -1.03 0.00 0.00 -0.01 0.00 0.00 57.16 56.11 2r78 n GLU 33 Cb 0.18 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 2r78 n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2r78 n GLY 34 N 1.13 0.71 3.68 0.62 0.00 -0.34 -4.89 105.19 106.11 2r78 n GLY 34 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2r78 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r78 s HIS 35 N -2.00 3.48 0.16 1.61 3.76 -1.26 -0.55 115.29 120.49 2r78 s HIS 35 Ca 0.00 1.44 -0.32 0.00 -0.15 0.00 0.00 55.06 56.04 2r78 s HIS 35 Cb 0.00 -3.10 -0.10 0.00 1.11 0.00 0.00 32.58 30.49 2r78 s HIS 35 CO 0.00 -0.21 1.60 0.71 -0.85 0.00 0.00 174.74 175.99 2r78 s TYR 36 N 1.99 2.96 -0.14 1.40 2.02 -1.06 -1.02 117.35 123.49 2r78 s TYR 36 Ca 0.44 0.55 0.09 0.00 -0.37 0.00 0.00 57.07 57.78 2r78 s TYR 36 Cb -0.18 -3.96 -0.15 0.00 -0.40 0.00 0.00 41.96 37.27 2r78 s TYR 36 CO 0.16 -3.59 0.00 1.28 -1.57 0.00 0.00 175.55 171.82 2r78 n LEU 37 N 4.17 0.68 -3.69 -1.29 4.77 0.79 -4.50 117.00 117.92 2r78 n LEU 37 Ca 0.14 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 2r78 n LEU 37 Cb 0.38 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2r78 n LEU 37 CO 0.62 0.43 0.15 -0.62 -1.33 0.00 0.00 177.39 176.64 2r78 s ASP 38 N -4.85 -0.37 -0.06 -1.43 -1.08 -0.99 -4.97 116.67 102.93 2r78 s ASP 38 Ca -0.10 0.43 -0.05 0.00 -0.52 0.00 0.00 52.55 52.30 2r78 s ASP 38 Cb 0.04 0.51 0.01 0.00 -1.46 0.00 0.00 42.92 42.03 2r78 s ASP 38 CO 0.51 -0.42 0.15 0.68 0.52 0.00 0.00 175.17 176.61 2r78 s VAL 39 N -0.94 0.00 0.55 1.11 -7.23 -1.26 -0.95 120.40 111.68 2r78 s VAL 39 Ca -0.10 -0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.06 2r78 s VAL 39 Cb -0.04 -0.22 0.03 0.00 0.56 0.00 0.00 36.38 36.71 2r78 s VAL 39 CO 0.05 -0.00 0.80 0.54 -0.31 0.00 0.00 175.10 176.18 2r78 s ASN 40 N 0.07 5.37 0.24 4.85 4.22 -0.70 -4.92 114.94 124.08 2r78 s ASN 40 Ca -0.00 0.21 -0.04 0.00 -2.14 0.00 0.00 52.86 50.88 2r78 s ASN 40 Cb -0.01 -1.16 0.44 0.00 1.28 0.00 0.00 41.25 41.80 2r78 s ASN 40 CO 0.00 -1.10 1.74 -0.65 -2.04 0.00 0.00 177.10 175.06 2r78 h PRO 41 N 0.02 0.47 -0.50 3.55 0.11 -1.82 -2.42 132.00 131.41 2r78 h PRO 41 Ca -0.44 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2r78 h PRO 41 Cb 1.28 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 2r78 h PRO 41 CO 0.56 0.31 0.21 0.00 -0.21 0.00 0.00 178.00 178.87 2r78 h ALA 42 N 1.52 0.63 -0.07 -0.75 0.00 -1.85 -0.59 119.26 118.14 2r78 h ALA 42 Ca 0.40 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 2r78 h ALA 42 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2r78 h ALA 42 CO -0.37 -0.16 -0.62 0.97 0.00 0.00 0.00 179.25 179.06 2r78 h ILE 43 N 0.42 1.39 -0.44 0.00 2.10 -1.74 -0.57 117.51 118.67 2r78 h ILE 43 Ca 0.23 -2.01 -0.06 0.00 1.08 0.00 0.00 64.86 64.10 2r78 h ILE 43 Cb 0.21 2.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.94 2r78 h ILE 43 CO -0.21 0.60 0.04 0.00 -1.08 0.00 0.00 178.15 177.50 2r78 h SER 45 N 0.59 0.40 -0.12 0.00 4.64 -0.95 -0.66 113.55 117.46 2r78 h SER 45 Ca 0.13 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2r78 h SER 45 Cb 0.43 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2r78 h SER 45 CO 0.01 1.08 0.03 0.00 -0.87 0.00 0.00 176.83 177.08 2r78 h ALA 46 N 0.90 0.16 0.00 5.18 0.00 -1.05 -3.32 119.26 121.13 2r78 h ALA 46 Ca -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2r78 h ALA 46 Cb 1.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2r78 h ALA 46 CO 0.14 -0.20 -0.89 0.82 0.00 0.00 0.00 179.25 179.12 2r78 h ILE 47 N -0.02 0.16 0.00 0.00 2.04 -1.39 -3.48 117.51 114.82 2r78 h ILE 47 Ca 0.04 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2r78 h ILE 47 Cb 0.27 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2r78 h ILE 47 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.85 2r78 n GLY 48 N 1.21 0.83 3.67 5.37 0.00 -0.27 -1.38 105.19 114.62 2r78 n GLY 48 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2r78 n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r78 s TYR 49 N -2.00 3.15 0.86 1.61 2.02 -1.13 -4.63 117.35 117.23 2r78 s TYR 49 Ca 0.00 0.17 -0.11 0.00 -0.37 0.00 0.00 57.07 56.76 2r78 s TYR 49 Cb 0.00 -1.80 0.11 0.00 -0.40 0.00 0.00 41.96 39.87 2r78 s TYR 49 CO 0.00 0.44 1.09 0.95 -1.57 0.00 0.00 175.55 176.46 2r78 s THR 50 N -0.80 2.86 0.19 -0.71 -4.23 -1.26 -4.47 115.64 107.22 2r78 s THR 50 Ca 0.12 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 2r78 s THR 50 Cb -0.11 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 71.08 2r78 s THR 50 CO 0.02 -0.36 1.76 -0.09 -0.54 0.00 0.00 174.62 175.41 2r78 h ARG 51 N -1.43 0.42 -0.60 3.99 2.43 -1.95 0.14 114.38 117.39 2r78 h ARG 51 Ca -0.47 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 2r78 h ARG 51 Cb 1.27 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2r78 h ARG 51 CO 0.53 0.28 0.22 -0.44 -1.51 0.00 0.00 179.97 179.05 2r78 h ASP 52 N 0.44 0.82 -0.50 -3.80 3.32 -1.99 -0.47 116.42 114.24 2r78 h ASP 52 Ca 0.26 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2r78 h ASP 52 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2r78 h ASP 52 CO -0.23 0.75 0.10 -0.33 -1.72 0.00 0.00 179.24 177.81 2r78 h GLU 53 N 0.87 0.81 -0.88 3.56 5.08 -1.66 -3.15 114.58 119.21 2r78 h GLU 53 Ca 0.20 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2r78 h GLU 53 Cb 0.20 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2r78 h GLU 53 CO -0.02 0.79 0.45 0.35 -1.00 0.00 0.00 179.01 179.59 2r78 h PHE 54 N 0.69 1.24 0.00 4.33 3.04 -0.00 -2.46 116.94 123.78 2r78 h PHE 54 Ca 0.15 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2r78 h PHE 54 Cb 0.36 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.48 2r78 h PHE 54 CO 0.02 0.88 0.00 1.28 -2.02 0.00 0.00 178.31 178.47 2r78 n LEU 55 N -4.31 0.00 -0.99 0.59 4.32 -0.25 -1.08 117.00 115.27 2r78 n LEU 55 Ca 0.09 0.18 0.11 0.00 -0.02 0.00 0.00 56.01 56.37 2r78 n LEU 55 Cb 0.12 -0.18 0.15 0.00 -1.62 0.00 0.00 43.42 41.89 2r78 n LEU 55 CO 0.39 -0.08 0.64 0.00 -1.22 0.00 0.00 177.39 177.12 2r78 n ALA 56 N -1.18 2.43 -2.91 -1.18 0.00 -0.93 -4.77 120.51 111.98 2r78 n ALA 56 Ca 0.10 -0.83 -0.28 0.00 0.00 0.00 0.00 53.44 52.42 2r78 n ALA 56 Cb 0.11 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 2r78 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r78 s LEU 57 N -1.63 4.24 0.00 0.00 1.43 -0.25 -5.05 118.68 117.43 2r78 s LEU 57 Ca 0.31 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2r78 s LEU 57 Cb 0.20 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2r78 s LEU 57 CO 0.29 0.10 -0.09 -1.81 0.23 0.00 0.00 176.35 175.07 2r78 s ASP 58 N -2.91 4.48 -0.10 2.29 1.11 -1.26 -2.57 116.67 117.71 2r78 s ASP 58 Ca 0.34 -0.18 -0.40 0.00 0.18 0.00 0.00 52.55 52.49 2r78 s ASP 58 Cb -0.12 -1.00 -0.18 0.00 1.07 0.00 0.00 42.92 42.68 2r78 s ASP 58 CO 0.27 0.29 1.33 1.87 1.18 0.00 0.00 175.17 180.11 2r78 n TRP 59 N 1.63 1.29 0.00 4.23 -0.00 0.29 -1.78 117.44 123.10 2r78 n TRP 59 Ca -0.16 0.87 0.00 0.00 -0.00 0.00 0.00 57.50 58.22 2r78 n TRP 59 Cb 0.52 -2.24 0.00 0.00 -0.00 0.00 0.00 31.31 29.60 2r78 n TRP 59 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2r78 n GLY 60 N 2.60 2.76 0.08 5.87 0.00 -1.26 -4.86 105.19 110.38 2r78 n GLY 60 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2r78 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2r78 h VAL 61 N 0.00 1.28 -0.86 1.61 2.07 -1.73 0.15 116.25 118.77 2r78 h VAL 61 Ca 0.00 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.39 2r78 h VAL 61 Cb 0.00 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2r78 h VAL 61 CO 0.00 0.30 0.56 -0.07 0.02 0.00 0.00 177.57 178.38 2r78 h LEU 62 N -0.61 0.83 -3.02 2.57 3.38 -1.91 -2.04 115.31 114.51 2r78 h LEU 62 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r78 h LEU 62 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2r78 h LEU 62 CO 0.01 0.52 0.00 -1.54 0.09 0.00 0.00 178.44 177.52 2r78 n SER 63 N -4.50 3.95 -3.89 -0.43 3.41 -1.22 -1.37 113.62 109.56 2r78 n SER 63 Ca 0.13 -2.33 -0.26 0.00 -0.26 0.00 0.00 58.87 56.15 2r78 n SER 63 Cb 0.23 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2r78 n SER 63 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2r78 n ARG 64 N 0.77 -4.29 -0.34 4.33 1.74 -0.32 -4.87 116.66 113.67 2r78 n ARG 64 Ca 0.21 0.51 0.08 0.00 -0.77 0.00 0.00 57.85 57.88 2r78 n ARG 64 Cb 0.71 -5.01 0.22 0.00 -1.02 0.00 0.00 32.46 27.36 2r78 n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r78 n GLY 65 N -1.72 4.06 0.14 -0.13 0.00 0.37 -4.71 105.19 103.21 2r78 n GLY 65 Ca -0.19 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2r78 n GLY 65 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2r78 h VAL 66 N 1.44 0.68 -0.38 1.61 2.07 -1.89 0.99 116.25 120.76 2r78 h VAL 66 Ca 0.00 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2r78 h VAL 66 Cb 1.28 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2r78 h VAL 66 CO 0.16 0.18 -0.01 0.44 0.02 0.00 0.00 177.57 178.36 2r78 h ASP 67 N -0.92 0.58 0.66 0.57 3.32 -1.93 -2.02 116.42 116.68 2r78 h ASP 67 Ca -0.03 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2r78 h ASP 67 Cb 0.49 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2r78 h ASP 67 CO 0.04 0.66 0.00 0.77 -1.72 0.00 0.00 179.24 178.99 2r78 h SER 68 N 0.58 0.00 0.00 6.45 4.64 -1.88 -3.46 113.55 119.88 2r78 h SER 68 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2r78 h SER 68 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2r78 h SER 68 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2r78 n GLY 69 N -0.19 1.30 0.22 -0.77 0.00 -0.76 -4.94 105.19 100.05 2r78 n GLY 69 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2r78 n GLY 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2r78 h TRP 70 N 0.00 0.05 0.22 1.61 7.01 -1.71 -1.38 115.95 121.75 2r78 h TRP 70 Ca 0.00 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2r78 h TRP 70 Cb 0.00 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2r78 h TRP 70 CO 0.00 -0.11 -0.11 0.00 -2.79 0.00 0.00 178.44 175.43 2r78 h ALA 71 N 1.51 -0.30 -0.37 2.65 0.00 -1.08 0.65 119.26 122.33 2r78 h ALA 71 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2r78 h ALA 71 Cb 0.47 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2r78 h ALA 71 CO -0.46 -0.67 0.24 0.00 0.00 0.00 0.00 179.25 178.36 2r78 h ALA 72 N 0.48 0.47 -0.01 0.00 0.00 -1.78 -1.45 119.26 116.97 2r78 h ALA 72 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2r78 h ALA 72 Cb 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.89 2r78 h ALA 72 CO 0.05 -0.06 -0.88 0.00 0.00 0.00 0.00 179.25 178.35 2r78 h ALA 73 N 1.12 0.12 -0.59 0.00 0.00 -1.18 -1.65 119.26 117.08 2r78 h ALA 73 Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2r78 h ALA 73 Cb -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2r78 h ALA 73 CO -0.03 0.57 0.30 0.66 0.00 0.00 0.00 179.25 180.76 2r78 h SER 74 N 0.24 0.75 -0.20 0.00 4.64 -0.90 -0.64 113.55 117.45 2r78 h SER 74 Ca -0.11 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2r78 h SER 74 Cb 1.55 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 2r78 h SER 74 CO 0.17 0.65 -0.01 0.25 -0.87 0.00 0.00 176.83 177.02 2r78 h LEU 75 N 0.80 -0.10 -1.29 5.97 5.85 -1.21 -1.32 115.31 124.00 2r78 h LEU 75 Ca 0.20 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2r78 h LEU 75 Cb 0.08 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2r78 h LEU 75 CO -0.03 -0.03 0.48 0.00 -0.34 0.00 0.00 178.44 178.53 2r78 h ALA 76 N 1.17 1.50 -0.24 1.25 0.00 -1.05 0.33 119.26 122.23 2r78 h ALA 76 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2r78 h ALA 76 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2r78 h ALA 76 CO -0.17 0.46 0.16 -0.09 0.00 0.00 0.00 179.25 179.61 2r78 h ARG 77 N 0.97 0.32 -0.08 0.00 2.43 -0.56 -0.72 114.38 116.73 2r78 h ARG 77 Ca 0.27 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2r78 h ARG 77 Cb -0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2r78 h ARG 77 CO -0.06 0.22 0.03 0.82 -1.51 0.00 0.00 179.97 179.47 2r78 h ILE 78 N 0.32 1.15 0.00 1.20 2.04 -0.58 -2.59 117.51 119.06 2r78 h ILE 78 Ca 0.09 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 2r78 h ILE 78 Cb -0.03 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2r78 h ILE 78 CO -0.02 0.13 -0.18 -0.37 0.00 0.00 0.00 178.15 177.71 2r78 h VAL 79 N -0.04 0.63 0.00 1.67 -1.51 -0.94 -0.09 116.25 115.97 2r78 h VAL 79 Ca 0.03 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2r78 h VAL 79 Cb 0.18 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2r78 h VAL 79 CO -0.00 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 2r78 n GLY 80 N -0.38 -1.05 0.00 5.19 0.00 -0.28 -4.90 105.19 103.77 2r78 n GLY 80 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2r78 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r78 n GLY 81 N 0.06 1.13 3.67 -0.02 0.00 -0.05 -5.07 105.19 104.91 2r78 n GLY 81 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2r78 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r78 s GLU 82 N -0.39 3.21 0.61 1.61 2.02 -1.00 -4.99 118.70 119.77 2r78 s GLU 82 Ca 0.00 -0.39 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 2r78 s GLU 82 Cb 0.00 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2r78 s GLU 82 CO 0.00 0.60 1.11 -1.25 0.02 0.00 0.00 175.26 175.74 2r78 s PRO 83 N -0.60 3.07 -0.11 0.39 0.04 -1.26 -3.77 135.00 132.76 2r78 s PRO 83 Ca 0.10 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 2r78 s PRO 83 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2r78 s PRO 83 CO 0.02 -1.05 0.09 -1.17 0.04 0.00 0.00 177.00 174.93 2r78 s LEU 84 N -4.42 4.09 -0.20 -3.56 0.20 -0.19 -4.93 118.68 109.67 2r78 s LEU 84 Ca 0.69 0.35 -0.04 0.00 0.69 0.00 0.00 54.13 55.81 2r78 s LEU 84 Cb -0.21 -1.98 0.10 0.00 -0.43 0.00 0.00 46.19 43.67 2r78 s LEU 84 CO 0.35 0.40 0.31 -0.60 -0.29 0.00 0.00 176.35 176.52 2r78 s ARG 85 N -0.99 0.25 -0.23 1.98 3.52 -1.25 -1.56 118.95 120.67 2r78 s ARG 85 Ca 0.15 0.53 -0.19 0.00 -0.13 0.00 0.00 55.73 56.08 2r78 s ARG 85 Cb -0.12 -0.52 0.06 0.00 -1.56 0.00 0.00 34.95 32.81 2r78 s ARG 85 CO 0.04 -0.53 0.59 -2.00 -0.81 0.00 0.00 175.30 172.59 2r78 s GLU 86 N 2.46 0.68 -0.19 5.12 2.12 -0.18 -5.01 118.70 123.70 2r78 s GLU 86 Ca 0.07 0.87 -0.21 0.00 0.36 0.00 0.00 54.97 56.06 2r78 s GLU 86 Cb -0.14 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 2r78 s GLU 86 CO -0.13 -0.09 0.61 -2.00 -0.54 0.00 0.00 175.26 173.11 2r78 s GLU 87 N 0.52 4.23 0.02 4.30 2.12 -1.26 -0.10 118.70 128.53 2r78 s GLU 87 Ca -0.02 0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2r78 s GLU 87 Cb -0.05 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 2r78 s GLU 87 CO -0.02 -0.20 -0.06 1.03 -0.54 0.00 0.00 175.26 175.47 2r78 s ARG 88 N 1.77 0.42 0.02 4.30 0.52 0.28 -4.93 118.95 121.33 2r78 s ARG 88 Ca 0.28 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 2r78 s ARG 88 Cb -0.16 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.05 2r78 s ARG 88 CO 0.11 0.04 1.14 0.99 0.02 0.00 0.00 175.30 177.60 2r78 s THR 89 N -1.01 4.30 0.02 0.02 2.01 -1.26 -0.99 115.64 118.73 2r78 s THR 89 Ca -0.08 1.64 0.09 0.00 0.31 0.00 0.00 61.69 63.65 2r78 s THR 89 Cb -0.07 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2r78 s THR 89 CO -0.00 0.10 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.09 2r78 s VAL 90 N 1.28 2.05 -0.16 3.82 1.01 0.19 -4.42 120.40 124.17 2r78 s VAL 90 Ca 0.56 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2r78 s VAL 90 Cb -0.26 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2r78 s VAL 90 CO 0.27 0.43 0.11 0.26 0.00 0.00 0.00 175.10 176.17 2r78 s TRP 91 N -0.73 3.43 0.91 5.22 0.51 -0.47 -0.29 118.94 127.53 2r78 s TRP 91 Ca 0.11 0.35 -0.13 0.00 -2.12 0.00 0.00 56.10 54.30 2r78 s TRP 91 Cb -0.10 -2.05 0.14 0.00 -0.81 0.00 0.00 33.47 30.65 2r78 s TRP 91 CO 0.01 0.43 1.17 0.95 -0.51 0.00 0.00 176.95 179.01 2r78 s THR 92 N -0.19 1.97 0.31 2.01 -4.23 0.76 -4.89 115.64 111.37 2r78 s THR 92 Ca 0.10 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2r78 s THR 92 Cb -0.12 -2.84 0.29 0.00 1.34 0.00 0.00 72.50 71.17 2r78 s THR 92 CO 0.01 0.00 1.89 -0.09 -0.54 0.00 0.00 174.62 175.88 2r78 h ARG 93 N -1.47 0.92 0.00 3.99 2.43 -1.48 -0.69 114.38 118.07 2r78 h ARG 93 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2r78 h ARG 93 Cb 1.31 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2r78 h ARG 93 CO 0.58 0.61 0.00 0.09 -1.51 0.00 0.00 179.97 179.73 2r78 n ASN 94 N -4.53 0.18 0.00 -3.80 5.03 -1.26 -4.93 115.26 105.95 2r78 n ASN 94 Ca 0.15 0.52 0.00 0.00 0.87 0.00 0.00 54.58 56.12 2r78 n ASN 94 Cb 0.29 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.48 2r78 n ASN 94 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2r78 n GLY 95 N 1.35 0.94 3.84 7.41 0.00 -0.27 -5.09 105.19 113.38 2r78 n GLY 95 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2r78 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r78 s ASP 96 N -2.15 6.12 -0.08 1.61 1.01 -1.26 -4.74 116.67 117.18 2r78 s ASP 96 Ca 0.00 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.84 2r78 s ASP 96 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 2r78 s ASP 96 CO 0.00 -0.94 -0.13 0.00 0.21 0.00 0.00 175.17 174.31 2r78 s GLN 97 N -4.64 2.90 0.14 8.23 -2.07 -1.26 -0.17 119.66 122.78 2r78 s GLN 97 Ca 0.58 -0.68 0.10 0.00 -1.82 0.00 0.00 55.36 53.54 2r78 s GLN 97 Cb -0.12 -2.51 -0.04 0.00 -1.09 0.00 0.00 33.01 29.25 2r78 s GLN 97 CO 0.45 0.46 -0.20 -0.51 -1.32 0.00 0.00 175.29 174.17 2r78 s LEU 98 N -0.29 2.62 -0.24 2.60 1.43 0.61 -4.97 118.68 120.45 2r78 s LEU 98 Ca 0.02 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2r78 s LEU 98 Cb -0.13 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2r78 s LEU 98 CO 0.03 0.16 0.23 -0.89 0.23 0.00 0.00 176.35 176.10 2r78 s THR 99 N -1.28 5.31 -0.09 5.49 2.01 -1.26 -0.64 115.64 125.18 2r78 s THR 99 Ca 0.19 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2r78 s THR 99 Cb -0.10 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.86 2r78 s THR 99 CO 0.10 0.31 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 2r78 s VAL 100 N 1.21 1.52 -0.41 3.82 1.01 -0.16 -0.87 120.40 126.52 2r78 s VAL 100 Ca 0.10 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 2r78 s VAL 100 Cb -0.14 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2r78 s VAL 100 CO 0.06 0.44 1.02 -0.70 0.00 0.00 0.00 175.10 175.92 2r78 s GLU 101 N 0.71 3.80 -0.13 2.72 2.12 0.12 -0.55 118.70 127.48 2r78 s GLU 101 Ca -0.13 0.61 -0.10 0.00 0.36 0.00 0.00 54.97 55.71 2r78 s GLU 101 Cb -0.16 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 2r78 s GLU 101 CO 0.03 -1.11 0.21 -0.51 -0.54 0.00 0.00 175.26 173.34 2r78 s LEU 102 N 3.84 4.33 0.04 2.70 1.43 0.86 -1.00 118.68 130.89 2r78 s LEU 102 Ca 0.42 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2r78 s LEU 102 Cb -0.10 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2r78 s LEU 102 CO 0.23 0.28 -0.11 -0.94 0.23 0.00 0.00 176.35 176.04 2r78 s SER 103 N -0.43 1.29 -0.05 2.29 1.04 -0.40 -1.01 113.70 116.43 2r78 s SER 103 Ca 0.15 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 2r78 s SER 103 Cb -0.13 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2r78 s SER 103 CO 0.04 -0.07 0.21 0.00 0.98 0.00 0.00 173.24 174.40 2r78 s ALA 104 N -1.06 -0.51 -0.04 5.32 0.00 -0.60 -0.67 121.76 124.20 2r78 s ALA 104 Ca -0.03 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 2r78 s ALA 104 Cb -0.09 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2r78 s ALA 104 CO 0.01 -0.15 0.09 -1.01 0.00 0.00 0.00 175.76 174.70 2r78 s HIS 105 N -0.43 -0.07 0.27 0.00 3.76 0.15 -1.02 115.29 117.95 2r78 s HIS 105 Ca -0.05 0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 2r78 s HIS 105 Cb -0.04 -0.13 -0.10 0.00 1.11 0.00 0.00 32.58 33.43 2r78 s HIS 105 CO 0.01 -0.12 1.43 -1.17 -0.85 0.00 0.00 174.74 174.04 2r78 s LEU 106 N 0.95 4.39 0.23 0.89 2.96 -1.26 -0.56 118.68 126.28 2r78 s LEU 106 Ca -0.08 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 56.54 2r78 s LEU 106 Cb -0.10 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2r78 s LEU 106 CO -0.04 -0.69 0.39 -0.76 -1.32 0.00 0.00 176.35 173.93 2r78 s LEU 107 N -0.64 4.24 0.57 -0.68 1.43 0.10 -4.86 118.68 118.84 2r78 s LEU 107 Ca 0.58 0.26 0.27 0.00 -1.03 0.00 0.00 54.13 54.21 2r78 s LEU 107 Cb -0.42 -3.05 1.68 0.00 0.03 0.00 0.00 46.19 44.43 2r78 s LEU 107 CO 0.45 -0.08 2.22 1.55 0.23 0.00 0.00 176.35 180.72 2r78 h PRO 108 N 1.52 0.00 -0.46 1.29 0.13 -1.96 0.41 132.00 132.93 2r78 h PRO 108 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2r78 h PRO 108 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2r78 h PRO 108 CO 0.65 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 2r78 n ASP 109 N -3.96 2.43 0.00 1.44 5.75 -1.26 -4.93 116.55 116.02 2r78 n ASP 109 Ca -0.03 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 2r78 n ASP 109 Cb 0.10 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2r78 n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r78 n GLY 110 N 1.08 2.09 3.60 6.12 0.00 0.14 -5.02 105.19 113.20 2r78 n GLY 110 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2r78 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r78 s LYS 111 N -0.60 -0.57 -0.04 1.61 1.02 -1.26 -3.66 119.74 116.25 2r78 s LYS 111 Ca 0.00 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.29 2r78 s LYS 111 Cb 0.00 -1.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2r78 s LYS 111 CO 0.00 -3.35 -0.09 0.42 -0.92 0.00 0.00 175.35 171.41 2r78 s ILE 112 N -2.90 0.81 -0.19 2.17 1.01 -1.26 0.00 121.20 120.84 2r78 s ILE 112 Ca 0.68 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 2r78 s ILE 112 Cb -0.15 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 2r78 s ILE 112 CO 0.58 0.26 0.17 -0.22 0.00 0.00 0.00 174.94 175.73 2r78 s LEU 113 N 0.41 4.21 0.13 2.97 2.96 0.27 -4.26 118.68 125.36 2r78 s LEU 113 Ca -0.07 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 2r78 s LEU 113 Cb -0.11 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2r78 s LEU 113 CO 0.01 0.15 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.17 2r78 s GLY 114 N 0.43 1.26 -0.03 7.98 0.00 0.53 -0.67 107.32 116.82 2r78 s GLY 114 Ca 0.10 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.53 2r78 s GLY 114 CO -0.00 -1.35 -0.13 -0.42 0.00 0.00 0.00 173.10 171.19 2r78 s ILE 115 N -1.58 1.09 -0.16 0.90 1.01 0.16 -0.95 121.20 121.67 2r78 s ILE 115 Ca 0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 2r78 s ILE 115 Cb -0.08 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.48 2r78 s ILE 115 CO 0.05 0.32 -0.07 0.00 0.00 0.00 0.00 174.94 175.24 2r78 s ALA 116 N 0.08 1.55 -0.22 9.38 0.00 -0.02 -1.27 121.76 131.27 2r78 s ALA 116 Ca -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2r78 s ALA 116 Cb -0.10 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2r78 s ALA 116 CO 0.01 -0.67 -0.03 1.03 0.00 0.00 0.00 175.76 176.10 2r78 s ARG 117 N 1.60 3.42 -0.25 0.00 0.52 -0.17 -0.46 118.95 123.62 2r78 s ARG 117 Ca 0.02 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 2r78 s ARG 117 Cb -0.15 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 2r78 s ARG 117 CO -0.08 -0.16 1.40 0.34 0.02 0.00 0.00 175.30 176.82 2r78 s ASP 118 N 1.40 6.62 0.00 0.23 -1.08 -1.26 0.11 116.67 122.68 2r78 s ASP 118 Ca 0.05 1.42 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 2r78 s ASP 118 Cb -0.14 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2r78 s ASP 118 CO -0.02 -1.09 0.33 1.33 0.52 0.00 0.00 175.17 176.25