#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a14 s ILE 2 N 0.00 4.09 0.06 5.18 1.01 -1.26 -4.98 121.20 125.30 1a14 s ILE 2 Ca 0.00 0.65 -0.28 0.00 0.00 0.00 0.00 60.65 61.02 1a14 s ILE 2 Cb 0.00 -4.70 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1a14 s ILE 2 CO 0.00 -1.34 0.87 -0.70 0.00 0.00 0.00 174.94 173.77 1a14 s GLU 3 N 4.75 4.59 -0.30 2.79 2.12 -1.26 -4.80 118.70 126.58 1a14 s GLU 3 Ca 0.38 1.27 -0.09 0.00 0.36 0.00 0.00 54.97 56.88 1a14 s GLU 3 Cb -0.09 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1a14 s GLU 3 CO 0.22 0.19 0.14 -0.51 -0.54 0.00 0.00 175.26 174.77 1a14 s LEU 4 N 0.18 4.04 -0.73 2.70 1.43 -1.26 -0.57 118.68 124.47 1a14 s LEU 4 Ca 0.44 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1a14 s LEU 4 Cb -0.22 -1.99 0.19 0.00 0.03 0.00 0.00 46.19 44.20 1a14 s LEU 4 CO 0.26 -0.18 0.66 -0.89 0.23 0.00 0.00 176.35 176.44 1a14 s THR 5 N 1.61 5.30 -0.93 5.49 2.01 -0.41 -3.91 115.64 124.80 1a14 s THR 5 Ca 0.05 -2.28 -0.24 0.00 0.31 0.00 0.00 61.69 59.52 1a14 s THR 5 Cb -0.17 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.04 1a14 s THR 5 CO 0.06 -0.97 1.62 -1.58 -0.69 0.00 0.00 174.62 173.06 1a14 s GLN 6 N 0.50 3.16 0.49 4.92 0.74 -1.26 -2.31 119.66 125.89 1a14 s GLN 6 Ca 0.14 -0.65 -0.23 0.00 0.05 0.00 0.00 55.36 54.67 1a14 s GLN 6 Cb -0.16 -5.08 -0.06 0.00 1.10 0.00 0.00 33.01 28.81 1a14 s GLN 6 CO -0.06 -2.61 1.29 0.99 -0.55 0.00 0.00 175.29 174.36 1a14 s THR 7 N 6.95 2.49 -0.08 -0.34 2.01 -0.25 -4.54 115.64 121.89 1a14 s THR 7 Ca 0.54 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.91 1a14 s THR 7 Cb -0.04 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1a14 s THR 7 CO -0.02 0.01 0.04 0.41 -0.69 0.00 0.00 174.62 174.36 1a14 n THR 8 N -0.62 -4.17 -0.20 -0.82 -1.04 -1.26 -4.25 114.28 101.92 1a14 n THR 8 Ca 0.08 0.35 0.01 0.00 -2.04 0.00 0.00 64.05 62.45 1a14 n THR 8 Cb 0.46 -4.67 0.11 0.00 -1.82 0.00 0.00 70.33 64.40 1a14 n THR 8 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1a14 h SER 9 N 0.61 -0.07 -3.91 8.00 4.64 -1.84 -3.43 113.55 117.56 1a14 h SER 9 Ca 0.00 0.12 -0.38 0.00 -0.47 0.00 0.00 61.79 61.06 1a14 h SER 9 Cb 0.06 0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.17 1a14 h SER 9 CO 0.03 -0.02 -0.74 -0.94 -0.87 0.00 0.00 176.83 174.29 1a14 s SER 10 N -5.28 1.98 0.02 4.97 1.04 -1.26 -1.05 113.70 114.13 1a14 s SER 10 Ca -0.13 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1a14 s SER 10 Cb 0.18 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1a14 s SER 10 CO 0.74 -0.22 -0.06 -0.76 0.98 0.00 0.00 173.24 173.92 1a14 s LEU 11 N -2.84 2.18 -0.06 2.42 1.43 0.35 -4.89 118.68 117.27 1a14 s LEU 11 Ca 0.13 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1a14 s LEU 11 Cb -0.01 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.11 1a14 s LEU 11 CO 0.03 -0.16 -0.07 -0.44 0.23 0.00 0.00 176.35 175.94 1a14 s SER 12 N -1.14 1.35 0.01 2.29 0.01 -1.26 -4.33 113.70 110.62 1a14 s SER 12 Ca -0.08 -0.20 -0.28 0.00 1.31 0.00 0.00 55.95 56.70 1a14 s SER 12 Cb -0.08 -0.60 0.07 0.00 0.21 0.00 0.00 66.02 65.62 1a14 s SER 12 CO -0.00 -0.04 0.64 0.00 0.41 0.00 0.00 173.24 174.25 1a14 s ALA 13 N 0.94 -1.67 0.48 1.44 0.00 -1.26 -5.16 121.76 116.52 1a14 s ALA 13 Ca -0.10 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1a14 s ALA 13 Cb -0.15 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 1a14 s ALA 13 CO 0.00 -0.48 0.87 -1.12 0.00 0.00 0.00 175.76 175.04 1a14 s SER 14 N -1.65 6.47 0.29 0.00 0.01 -1.26 -4.99 113.70 112.57 1a14 s SER 14 Ca -0.08 1.27 -0.30 0.00 1.31 0.00 0.00 55.95 58.16 1a14 s SER 14 Cb -0.00 -2.39 -0.11 0.00 0.21 0.00 0.00 66.02 63.73 1a14 s SER 14 CO 0.03 -0.55 1.54 -0.76 0.41 0.00 0.00 173.24 173.92 1a14 s LEU 15 N -4.23 4.35 0.00 2.44 1.02 -1.26 -2.05 118.68 118.95 1a14 s LEU 15 Ca 0.53 2.89 0.00 0.00 0.02 0.00 0.00 54.13 57.57 1a14 s LEU 15 Cb -0.10 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.47 1a14 s LEU 15 CO 0.36 -0.85 0.00 0.61 0.02 0.00 0.00 176.35 176.49 1a14 n GLY 16 N 2.01 3.00 3.68 -3.19 0.00 -0.65 -4.89 105.19 105.16 1a14 n GLY 16 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1a14 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a14 s ASP 17 N -1.24 3.09 -0.21 1.61 1.11 -0.87 -4.03 116.67 116.12 1a14 s ASP 17 Ca 0.00 1.74 -0.07 0.00 0.18 0.00 0.00 52.55 54.41 1a14 s ASP 17 Cb 0.00 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 1a14 s ASP 17 CO 0.00 -2.92 0.05 -0.60 1.18 0.00 0.00 175.17 172.88 1a14 s ARG 18 N -4.77 3.78 0.07 8.23 3.52 -1.12 -0.33 118.95 128.33 1a14 s ARG 18 Ca 0.65 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.88 1a14 s ARG 18 Cb -0.20 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1a14 s ARG 18 CO 0.58 0.05 -0.19 0.14 -0.81 0.00 0.00 175.30 175.07 1a14 s VAL 19 N 0.96 1.54 -0.11 7.11 -7.23 0.28 -4.97 120.40 117.98 1a14 s VAL 19 Ca 0.03 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1a14 s VAL 19 Cb -0.14 -1.39 0.04 0.00 0.56 0.00 0.00 36.38 35.45 1a14 s VAL 19 CO 0.03 0.01 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.93 1a14 s THR 20 N -1.02 0.57 -0.13 5.32 2.01 -1.26 -0.36 115.64 120.76 1a14 s THR 20 Ca 0.05 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1a14 s THR 20 Cb -0.09 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1a14 s THR 20 CO 0.03 0.16 0.06 -0.51 -0.69 0.00 0.00 174.62 173.67 1a14 s ILE 21 N 1.88 4.79 -0.11 1.82 1.10 0.68 -4.91 121.20 126.45 1a14 s ILE 21 Ca 0.03 -0.05 -0.02 0.00 -0.51 0.00 0.00 60.65 60.10 1a14 s ILE 21 Cb -0.14 -3.10 -0.03 0.00 0.15 0.00 0.00 42.46 39.35 1a14 s ILE 21 CO -0.07 0.55 -0.03 -0.44 -2.11 0.00 0.00 174.94 172.84 1a14 s SER 22 N -0.38 4.93 -0.27 4.50 0.01 -1.26 -0.14 113.70 121.09 1a14 s SER 22 Ca 0.09 0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.35 1a14 s SER 22 Cb -0.12 -1.51 0.08 0.00 0.21 0.00 0.00 66.02 64.68 1a14 s SER 22 CO 0.02 0.29 0.04 0.00 0.41 0.00 0.00 173.24 174.00 1a14 s ARG 24 N 1.51 3.66 0.70 0.00 3.00 -0.98 -1.85 118.95 125.00 1a14 s ARG 24 Ca 0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 55.73 55.18 1a14 s ARG 24 Cb -0.18 -3.27 0.02 0.00 0.00 0.00 0.00 34.95 31.52 1a14 s ARG 24 CO -0.15 -0.13 1.08 0.00 0.00 0.00 0.00 175.30 176.11 1a14 s ALA 25 N 1.43 2.92 0.11 2.13 0.00 0.15 -1.29 121.76 127.22 1a14 s ALA 25 Ca 0.05 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.70 1a14 s ALA 25 Cb -0.15 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.12 1a14 s ALA 25 CO 0.03 -1.16 1.46 0.66 0.00 0.00 0.00 175.76 176.75 1a14 h SER 26 N -0.65 0.00 -4.83 0.00 4.64 -1.16 -3.46 113.55 108.10 1a14 h SER 26 Ca -0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.64 1a14 h SER 26 Cb 1.26 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.15 1a14 h SER 26 CO 0.64 0.72 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.49 1a14 s GLN 27 N -3.12 0.50 -0.67 4.77 -0.21 -1.26 -4.98 119.66 114.70 1a14 s GLN 27 Ca 0.01 -0.79 -0.26 0.00 0.02 0.00 0.00 55.36 54.34 1a14 s GLN 27 Cb 0.10 -0.15 -0.12 0.00 1.00 0.00 0.00 33.01 33.84 1a14 s GLN 27 CO 0.77 0.01 2.46 -3.47 -2.12 0.00 0.00 175.29 172.94 1a14 n ASP 28 N 1.30 1.64 0.00 5.90 -0.08 -1.26 -4.70 116.55 119.35 1a14 n ASP 28 Ca -0.22 -0.55 0.14 0.00 -1.51 0.00 0.00 54.79 52.65 1a14 n ASP 28 Cb 0.56 -1.42 0.81 0.00 2.34 0.00 0.00 41.12 43.41 1a14 n ASP 28 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1a14 n ILE 29 N 7.91 0.03 -3.50 5.18 -5.35 -0.91 -4.95 119.36 117.77 1a14 n ILE 29 Ca 0.46 0.01 -0.20 0.00 -0.27 0.00 0.00 62.75 62.75 1a14 n ILE 29 Cb 0.41 -0.56 0.06 0.00 -1.74 0.00 0.00 39.64 37.81 1a14 n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1a14 n SER 30 N -1.06 -3.49 0.00 7.28 2.88 -1.25 -2.53 113.62 115.45 1a14 n SER 30 Ca 0.20 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1a14 n SER 30 Cb 0.12 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 1a14 n SER 30 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a14 n ASN 31 N -3.07 -0.73 -3.07 -3.46 5.03 -1.26 -4.87 115.26 103.82 1a14 n ASN 31 Ca -0.20 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 54.91 1a14 n ASN 31 Cb 0.65 -2.10 -0.04 0.00 -1.02 0.00 0.00 39.78 37.26 1a14 n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1a14 n TYR 32 N -2.03 2.05 -4.49 3.10 4.01 -1.05 -2.88 117.16 115.86 1a14 n TYR 32 Ca 0.00 -2.58 -0.30 0.00 -0.16 0.00 0.00 57.90 54.86 1a14 n TYR 32 Cb 0.05 -1.91 -0.12 0.00 -0.31 0.00 0.00 39.34 37.05 1a14 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a14 s LEU 33 N -1.23 2.69 0.23 7.72 0.20 -1.26 -1.55 118.68 125.49 1a14 s LEU 33 Ca 0.61 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 55.01 1a14 s LEU 33 Cb 0.24 -1.56 -0.05 0.00 -0.43 0.00 0.00 46.19 44.38 1a14 s LEU 33 CO -0.10 0.22 -0.02 0.20 -0.29 0.00 0.00 176.35 176.36 1a14 s ASN 34 N -1.74 2.01 -0.05 3.68 0.01 0.20 -0.59 114.94 118.47 1a14 s ASN 34 Ca 0.16 -1.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 1a14 s ASN 34 Cb -0.11 -0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.55 1a14 s ASN 34 CO 0.08 -0.46 -0.05 0.26 -1.51 0.00 0.00 177.10 175.41 1a14 s TRP 35 N -3.33 0.82 -0.02 2.20 0.52 0.11 -1.40 118.94 117.84 1a14 s TRP 35 Ca 0.28 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 56.22 1a14 s TRP 35 Cb 0.05 -0.70 -0.01 0.00 -1.15 0.00 0.00 33.47 31.65 1a14 s TRP 35 CO 0.09 -0.20 -0.21 0.71 0.02 0.00 0.00 176.95 177.36 1a14 s TYR 36 N 0.88 1.94 -0.27 -1.98 2.02 0.73 -0.11 117.35 120.55 1a14 s TYR 36 Ca -0.12 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.11 1a14 s TYR 36 Cb -0.14 -1.26 -0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1a14 s TYR 36 CO 0.01 -0.06 0.06 -1.14 -1.57 0.00 0.00 175.55 172.85 1a14 s GLN 37 N -0.41 3.28 -0.50 -0.62 0.74 0.23 -1.21 119.66 121.17 1a14 s GLN 37 Ca 0.06 -0.73 -0.11 0.00 0.05 0.00 0.00 55.36 54.63 1a14 s GLN 37 Cb -0.09 -3.32 0.13 0.00 1.10 0.00 0.00 33.01 30.83 1a14 s GLN 37 CO -0.00 -0.35 0.40 -1.14 -0.55 0.00 0.00 175.29 173.65 1a14 s GLN 38 N 1.53 2.63 0.86 1.67 0.74 -0.89 -0.14 119.66 126.06 1a14 s GLN 38 Ca 0.04 -1.78 -0.13 0.00 0.05 0.00 0.00 55.36 53.54 1a14 s GLN 38 Cb -0.16 -4.03 0.07 0.00 1.10 0.00 0.00 33.01 29.99 1a14 s GLN 38 CO 0.02 -1.23 0.88 0.09 -0.55 0.00 0.00 175.29 174.50 1a14 n ASN 39 N 4.94 -0.27 0.24 6.67 5.03 0.14 -3.39 115.26 128.62 1a14 n ASN 39 Ca -0.09 0.48 0.18 0.00 0.87 0.00 0.00 54.58 56.02 1a14 n ASN 39 Cb 0.41 -1.38 0.83 0.00 -1.02 0.00 0.00 39.78 38.62 1a14 n ASN 39 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1a14 h PRO 40 N -1.24 0.00 -1.23 3.52 0.11 -1.88 -0.06 132.00 131.22 1a14 h PRO 40 Ca -0.45 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 1a14 h PRO 40 Cb 1.29 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1a14 h PRO 40 CO 0.41 0.00 0.69 -0.40 -0.21 0.00 0.00 178.00 178.49 1a14 n ASP 41 N -3.32 7.20 0.00 -2.05 5.75 -1.26 -4.91 116.55 117.97 1a14 n ASP 41 Ca 0.01 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.30 1a14 n ASP 41 Cb 0.41 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1a14 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a14 n GLY 42 N -0.39 0.94 3.67 6.12 0.00 -0.04 -4.95 105.19 110.55 1a14 n GLY 42 Ca 0.49 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.04 1a14 n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a14 n THR 43 N -0.10 0.25 -4.19 2.61 -1.04 -1.25 -4.61 114.28 105.95 1a14 n THR 43 Ca 0.00 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1a14 n THR 43 Cb 0.00 -1.66 -0.09 0.00 -1.82 0.00 0.00 70.33 66.76 1a14 n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1a14 s VAL 44 N 2.27 4.62 0.05 12.58 1.01 -1.26 0.26 120.40 139.93 1a14 s VAL 44 Ca 0.85 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.76 1a14 s VAL 44 Cb -0.70 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1a14 s VAL 44 CO 0.44 0.56 -0.14 -1.59 0.00 0.00 0.00 175.10 174.37 1a14 s LYS 45 N -0.49 0.89 -0.28 2.72 0.00 0.80 -4.96 119.74 118.44 1a14 s LYS 45 Ca 0.09 -0.81 -0.27 0.00 0.00 0.00 0.00 55.97 54.98 1a14 s LYS 45 Cb -0.12 -0.90 0.01 0.00 0.00 0.00 0.00 37.83 36.82 1a14 s LYS 45 CO 0.02 0.21 0.97 -1.17 0.00 0.00 0.00 175.35 175.39 1a14 s LEU 46 N -1.32 4.04 -0.02 2.77 2.96 -1.26 -0.60 118.68 125.25 1a14 s LEU 46 Ca 0.00 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1a14 s LEU 46 Cb -0.08 -3.40 -0.00 0.00 0.50 0.00 0.00 46.19 43.20 1a14 s LEU 46 CO 0.02 -0.71 -0.02 -0.07 -1.32 0.00 0.00 176.35 174.25 1a14 h LEU 47 N 9.62 0.00 -8.06 -0.68 3.38 -0.87 -3.42 115.31 115.29 1a14 h LEU 47 Ca -0.21 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.16 1a14 h LEU 47 Cb 1.07 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.48 1a14 h LEU 47 CO 0.96 0.11 -0.84 -0.63 0.09 0.00 0.00 178.44 178.13 1a14 s ILE 48 N -1.18 1.57 -0.11 1.22 1.01 -1.14 -0.44 121.20 122.14 1a14 s ILE 48 Ca -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1a14 s ILE 48 Cb 0.00 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1a14 s ILE 48 CO 0.03 0.45 -0.14 -0.72 0.00 0.00 0.00 174.94 174.57 1a14 s TYR 49 N 0.87 2.78 -0.59 3.97 1.13 0.12 0.10 117.35 125.73 1a14 s TYR 49 Ca -0.09 -0.51 -0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1a14 s TYR 49 Cb -0.15 -1.78 -0.04 0.00 -1.10 0.00 0.00 41.96 38.89 1a14 s TYR 49 CO -0.00 -0.10 0.52 0.98 -2.51 0.00 0.00 175.55 174.44 1a14 n TYR 50 N 3.18 -1.46 0.00 -3.49 9.36 -0.25 -3.09 117.16 121.41 1a14 n TYR 50 Ca -0.18 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1a14 n TYR 50 Cb 0.53 -3.40 0.00 0.00 -0.63 0.00 0.00 39.34 35.84 1a14 n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1a14 n THR 51 N -2.39 0.00 0.01 2.97 -1.04 0.24 -3.23 114.28 110.84 1a14 n THR 51 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1a14 n THR 51 Cb 0.56 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1a14 n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a14 n SER 52 N 0.54 0.19 -4.72 8.00 3.41 -1.24 -2.91 113.62 116.89 1a14 n SER 52 Ca 0.00 -0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 57.60 1a14 n SER 52 Cb 0.00 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 1a14 n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1a14 s ASN 53 N -0.83 6.90 0.05 4.04 -0.87 -1.18 -4.57 114.94 118.49 1a14 s ASN 53 Ca 0.00 2.24 -0.19 0.00 -1.57 0.00 0.00 52.86 53.34 1a14 s ASN 53 Cb 0.00 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.58 1a14 s ASN 53 CO 0.00 -0.59 0.55 -0.22 -2.57 0.00 0.00 177.10 174.27 1a14 s LEU 54 N 1.04 4.51 0.83 0.60 2.96 -1.26 -0.70 118.68 126.65 1a14 s LEU 54 Ca 0.63 1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 55.63 1a14 s LEU 54 Cb -0.35 -2.86 0.10 0.00 0.50 0.00 0.00 46.19 43.59 1a14 s LEU 54 CO 0.30 0.26 1.18 -2.28 -1.32 0.00 0.00 176.35 174.50 1a14 s HIS 55 N -0.99 2.62 0.21 5.38 5.65 0.41 -4.86 115.29 123.71 1a14 s HIS 55 Ca 0.28 0.59 -0.32 0.00 0.25 0.00 0.00 55.06 55.86 1a14 s HIS 55 Cb -0.19 -3.58 -0.13 0.00 -1.18 0.00 0.00 32.58 27.50 1a14 s HIS 55 CO 0.18 -1.92 1.63 -1.13 -0.65 0.00 0.00 174.74 172.85 1a14 n SER 56 N -3.35 3.58 -0.23 9.88 3.41 -1.26 -2.17 113.62 123.48 1a14 n SER 56 Ca 0.10 1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 59.77 1a14 n SER 56 Cb 0.61 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.02 1a14 n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a14 n GLU 57 N 3.28 -1.40 -2.55 4.33 1.02 -1.26 -4.98 120.64 119.08 1a14 n GLU 57 Ca 0.14 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.36 1a14 n GLU 57 Cb 0.33 -4.62 -0.03 0.00 -0.02 0.00 0.00 31.44 27.10 1a14 n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a14 s VAL 58 N -1.51 4.43 -0.24 2.62 1.01 -0.92 -4.94 120.40 120.86 1a14 s VAL 58 Ca 0.00 1.74 -0.37 0.00 0.00 0.00 0.00 61.98 63.36 1a14 s VAL 58 Cb 0.00 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 1a14 s VAL 58 CO 0.00 0.08 1.92 -2.65 0.00 0.00 0.00 175.10 174.45 1a14 n PRO 59 N 4.40 1.47 0.31 2.72 -0.02 -1.26 -4.82 135.00 137.80 1a14 n PRO 59 Ca 0.09 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1a14 n PRO 59 Cb 0.48 -2.39 0.51 0.00 -0.02 0.00 0.00 33.50 32.08 1a14 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a14 h SER 60 N 9.40 0.00 0.00 2.55 4.64 -2.00 0.20 113.55 128.34 1a14 h SER 60 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1a14 h SER 60 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1a14 h SER 60 CO 0.97 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.82 1a14 n ARG 61 N -2.64 0.89 -3.53 4.77 1.85 -1.26 -4.53 116.66 112.22 1a14 n ARG 61 Ca -0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.42 1a14 n ARG 61 Cb 0.56 -1.12 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 1a14 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a14 s PHE 62 N -2.00 3.33 0.14 2.89 0.08 0.70 0.14 117.98 123.26 1a14 s PHE 62 Ca 0.10 -1.47 -0.04 0.00 0.12 0.00 0.00 56.93 55.64 1a14 s PHE 62 Cb 0.05 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 1a14 s PHE 62 CO 0.08 -0.88 0.37 -1.12 -0.10 0.00 0.00 175.22 173.56 1a14 s SER 63 N 2.45 6.48 -0.03 1.36 0.01 0.15 -4.97 113.70 119.14 1a14 s SER 63 Ca 0.04 0.57 -0.00 0.00 1.31 0.00 0.00 55.95 57.87 1a14 s SER 63 Cb -0.24 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1a14 s SER 63 CO 0.02 0.06 0.01 -0.83 0.41 0.00 0.00 173.24 172.92 1a14 s GLY 64 N -2.43 0.25 0.34 3.44 0.00 -1.26 -1.22 107.32 106.44 1a14 s GLY 64 Ca 0.41 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 1a14 s GLY 64 CO 0.25 0.78 0.51 -1.35 0.00 0.00 0.00 173.10 173.29 1a14 s SER 65 N 1.30 0.77 0.00 1.64 1.04 -0.98 -3.72 113.70 113.75 1a14 s SER 65 Ca -0.06 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1a14 s SER 65 Cb -0.13 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1a14 s SER 65 CO -0.02 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1a14 n GLY 66 N -0.55 1.00 3.59 7.32 0.00 -1.26 -0.52 105.19 114.77 1a14 n GLY 66 Ca -0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 1a14 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a14 s SER 67 N -0.45 -0.20 0.67 1.61 0.15 -0.59 -4.97 113.70 109.92 1a14 s SER 67 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1a14 s SER 67 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1a14 s SER 67 CO 0.00 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1a14 n GLY 68 N -0.24 0.34 0.00 9.45 0.00 -1.26 -1.84 105.19 111.63 1a14 n GLY 68 Ca -0.05 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1a14 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a14 n THR 69 N 0.00 0.00 -3.70 2.61 -2.24 -1.26 -2.14 114.28 107.55 1a14 n THR 69 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1a14 n THR 69 Cb 0.00 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1a14 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a14 s ASP 70 N -2.06 5.75 0.29 3.42 1.11 -0.77 0.34 116.67 124.76 1a14 s ASP 70 Ca 0.00 -0.03 0.04 0.00 0.18 0.00 0.00 52.55 52.75 1a14 s ASP 70 Cb 0.00 -2.05 -0.06 0.00 1.07 0.00 0.00 42.92 41.89 1a14 s ASP 70 CO 0.00 0.00 0.01 -0.31 1.18 0.00 0.00 175.17 176.06 1a14 s TYR 71 N 1.42 1.86 -0.14 4.23 1.51 -0.77 -1.54 117.35 123.92 1a14 s TYR 71 Ca 0.06 -0.88 -0.13 0.00 -1.01 0.00 0.00 57.07 55.11 1a14 s TYR 71 Cb -0.15 -1.15 0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1a14 s TYR 71 CO 0.06 0.07 0.37 -1.54 -1.11 0.00 0.00 175.55 173.40 1a14 s SER 72 N -3.43 -0.39 -0.16 2.29 1.04 0.32 -1.93 113.70 111.45 1a14 s SER 72 Ca 0.33 0.75 -0.06 0.00 0.48 0.00 0.00 55.95 57.45 1a14 s SER 72 Cb 0.07 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 1a14 s SER 72 CO 0.13 -0.13 0.03 -0.22 0.98 0.00 0.00 173.24 174.03 1a14 s LEU 73 N 0.20 3.63 -0.15 2.42 0.20 0.80 -2.32 118.68 123.46 1a14 s LEU 73 Ca -0.00 0.03 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 1a14 s LEU 73 Cb -0.03 -1.89 0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1a14 s LEU 73 CO 0.00 0.20 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.31 1a14 s THR 74 N 0.21 1.07 -0.40 3.68 2.01 -0.36 -0.23 115.64 121.61 1a14 s THR 74 Ca 0.02 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 1a14 s THR 74 Cb -0.13 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1a14 s THR 74 CO 0.01 0.21 0.30 -0.63 -0.69 0.00 0.00 174.62 173.82 1a14 s ILE 75 N 1.67 5.26 0.07 1.82 1.01 0.52 0.32 121.20 131.85 1a14 s ILE 75 Ca 0.02 -0.60 -0.37 0.00 0.00 0.00 0.00 60.65 59.69 1a14 s ILE 75 Cb -0.14 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.22 1a14 s ILE 75 CO -0.08 -0.28 1.57 0.28 0.00 0.00 0.00 174.94 176.43 1a14 h SER 76 N 8.62 -1.21 -3.76 3.58 0.02 -0.55 0.82 113.55 121.06 1a14 h SER 76 Ca -0.27 0.06 -0.67 0.00 -0.84 0.00 0.00 61.79 60.06 1a14 h SER 76 Cb 1.12 0.34 -0.37 0.00 0.14 0.00 0.00 62.40 63.63 1a14 h SER 76 CO 0.72 -0.78 -0.73 0.20 -1.14 0.00 0.00 176.83 175.10 1a14 s ASN 77 N -4.11 4.70 0.57 3.07 -0.87 -1.23 -2.80 114.94 114.28 1a14 s ASN 77 Ca -0.19 -1.71 -0.21 0.00 -1.57 0.00 0.00 52.86 49.17 1a14 s ASN 77 Cb 0.03 -1.63 -0.04 0.00 -0.02 0.00 0.00 41.25 39.59 1a14 s ASN 77 CO 0.60 -0.30 1.33 -0.22 -2.57 0.00 0.00 177.10 175.94 1a14 s LEU 78 N 1.05 3.78 0.09 0.60 2.96 0.56 -4.74 118.68 122.98 1a14 s LEU 78 Ca 0.00 2.70 -0.06 0.00 -0.22 0.00 0.00 54.13 56.56 1a14 s LEU 78 Cb -0.20 -4.37 -0.02 0.00 0.50 0.00 0.00 46.19 42.10 1a14 s LEU 78 CO -0.05 -1.67 0.13 -1.61 -1.32 0.00 0.00 176.35 171.83 1a14 s GLU 79 N -3.04 0.83 0.22 1.98 2.02 -1.26 -1.63 118.70 117.82 1a14 s GLU 79 Ca 0.74 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 1a14 s GLU 79 Cb -0.39 0.30 0.33 0.00 0.10 0.00 0.00 34.13 34.47 1a14 s GLU 79 CO 0.45 -0.24 1.78 1.96 0.02 0.00 0.00 175.26 179.22 1a14 h GLN 80 N 2.85 0.58 0.00 1.61 4.20 -2.00 0.42 115.11 122.76 1a14 h GLN 80 Ca -0.34 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1a14 h GLN 80 Cb 1.19 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1a14 h GLN 80 CO 0.58 0.38 0.34 0.93 -0.67 0.00 0.00 178.83 180.39 1a14 h GLU 81 N 0.59 0.00 -0.15 1.46 4.39 -2.01 0.15 114.58 119.02 1a14 h GLU 81 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1a14 h GLU 81 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1a14 h GLU 81 CO -0.27 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.33 1a14 n ASP 82 N -2.87 0.89 -4.43 1.42 8.00 0.14 -4.70 116.55 114.99 1a14 n ASP 82 Ca -0.02 -1.88 -0.44 0.00 0.71 0.00 0.00 54.79 53.16 1a14 n ASP 82 Cb 0.38 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1a14 n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a14 s ILE 83 N -1.80 4.69 0.00 0.53 -1.09 0.54 -4.84 121.20 119.22 1a14 s ILE 83 Ca 0.16 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 1a14 s ILE 83 Cb 0.08 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1a14 s ILE 83 CO 0.12 -1.39 0.00 0.00 -1.23 0.00 0.00 174.94 172.44 1a14 n ALA 84 N 6.66 0.00 -2.70 9.38 0.00 -1.11 -4.58 120.51 128.17 1a14 n ALA 84 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1a14 n ALA 84 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1a14 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a14 s THR 85 N -2.91 4.13 -0.12 0.00 2.01 -1.22 -1.36 115.64 116.19 1a14 s THR 85 Ca 0.00 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1a14 s THR 85 Cb 0.00 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.59 1a14 s THR 85 CO 0.00 0.21 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.61 1a14 s TYR 86 N -1.25 2.46 0.04 4.92 1.51 0.15 -2.09 117.35 123.09 1a14 s TYR 86 Ca 0.24 -1.13 0.06 0.00 -1.01 0.00 0.00 57.07 55.24 1a14 s TYR 86 Cb -0.12 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1a14 s TYR 86 CO 0.16 -0.50 -0.16 -0.06 -1.11 0.00 0.00 175.55 173.88 1a14 s PHE 87 N 0.65 2.62 0.20 2.71 0.08 -0.35 -0.55 117.98 123.34 1a14 s PHE 87 Ca -0.12 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 56.79 1a14 s PHE 87 Cb -0.16 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1a14 s PHE 87 CO 0.03 0.29 0.01 0.00 -0.10 0.00 0.00 175.22 175.44 1a14 s GLN 89 N -3.15 0.84 0.05 0.00 -0.44 -0.50 0.72 119.66 117.19 1a14 s GLN 89 Ca 0.29 0.95 0.03 0.00 -2.50 0.00 0.00 55.36 54.13 1a14 s GLN 89 Cb -0.09 0.41 -0.04 0.00 -1.64 0.00 0.00 33.01 31.66 1a14 s GLN 89 CO 0.19 -0.11 0.02 1.14 0.50 0.00 0.00 175.29 177.03 1a14 s GLN 90 N 0.30 2.73 -0.11 1.67 1.03 -0.74 0.61 119.66 125.14 1a14 s GLN 90 Ca -0.01 -0.71 0.16 0.00 0.04 0.00 0.00 55.36 54.84 1a14 s GLN 90 Cb -0.05 -2.64 0.36 0.00 0.03 0.00 0.00 33.01 30.71 1a14 s GLN 90 CO 0.01 0.58 1.17 -0.40 -2.54 0.00 0.00 175.29 174.12 1a14 n ASP 91 N 0.86 1.40 -0.07 12.60 5.68 -0.60 -3.65 116.55 132.77 1a14 n ASP 91 Ca -0.12 -2.99 -0.12 0.00 -0.50 0.00 0.00 54.79 51.06 1a14 n ASP 91 Cb 0.52 -0.41 -0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1a14 n ASP 91 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1a14 h PHE 92 N 0.75 1.00 -2.85 2.11 3.57 -1.80 -3.46 116.94 116.26 1a14 h PHE 92 Ca -0.07 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 61.01 1a14 h PHE 92 Cb 1.32 -0.20 -0.19 0.00 2.79 0.00 0.00 35.95 39.68 1a14 h PHE 92 CO 0.40 1.13 -0.14 -0.08 -2.23 0.00 0.00 178.31 177.39 1a14 s THR 93 N -4.23 0.05 0.32 4.41 -1.32 -1.26 -5.12 115.64 108.49 1a14 s THR 93 Ca -0.10 -0.39 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 1a14 s THR 93 Cb 0.11 -0.80 -0.09 0.00 -1.51 0.00 0.00 72.50 70.21 1a14 s THR 93 CO 0.87 -0.22 1.04 -0.76 -2.21 0.00 0.00 174.62 173.34 1a14 s LEU 94 N -1.53 4.40 0.26 9.08 2.01 -1.26 -3.93 118.68 127.70 1a14 s LEU 94 Ca -0.10 2.08 -0.26 0.00 0.01 0.00 0.00 54.13 55.86 1a14 s LEU 94 Cb -0.03 -3.86 -0.09 0.00 0.01 0.00 0.00 46.19 42.22 1a14 s LEU 94 CO 0.03 -0.20 0.88 -2.16 1.01 0.00 0.00 176.35 175.91 1a14 s PRO 95 N -1.83 4.60 0.24 1.29 0.04 -1.26 -4.96 135.00 133.13 1a14 s PRO 95 Ca 0.49 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 1a14 s PRO 95 Cb -0.26 -3.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 1a14 s PRO 95 CO 0.33 0.42 1.64 -0.06 0.04 0.00 0.00 177.00 179.37 1a14 s PHE 96 N -1.40 2.85 -0.01 0.56 0.08 -1.25 -4.74 117.98 114.07 1a14 s PHE 96 Ca 0.44 0.59 0.07 0.00 0.12 0.00 0.00 56.93 58.15 1a14 s PHE 96 Cb -0.21 -4.08 -0.02 0.00 -0.57 0.00 0.00 43.02 38.14 1a14 s PHE 96 CO 0.26 -3.86 -0.22 0.95 -0.10 0.00 0.00 175.22 172.25 1a14 s THR 97 N 0.59 1.76 0.30 0.64 -4.23 -1.24 -5.01 115.64 108.45 1a14 s THR 97 Ca 0.69 -0.98 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 1a14 s THR 97 Cb -0.48 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1a14 s THR 97 CO 0.40 0.47 0.33 -0.36 -0.54 0.00 0.00 174.62 174.91 1a14 s PHE 98 N -0.55 3.10 0.32 3.99 0.40 -1.26 -1.79 117.98 122.19 1a14 s PHE 98 Ca 0.09 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1a14 s PHE 98 Cb -0.09 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1a14 s PHE 98 CO -0.01 0.26 0.50 0.20 0.70 0.00 0.00 175.22 176.87 1a14 s GLY 99 N -4.00 1.32 0.51 4.36 0.00 0.22 -4.35 107.32 105.38 1a14 s GLY 99 Ca 0.39 -1.03 0.22 0.00 0.00 0.00 0.00 44.72 44.31 1a14 s GLY 99 CO 0.28 -0.98 1.65 -1.33 0.00 0.00 0.00 173.10 172.71 1a14 h GLY 100 N 0.85 0.00 0.00 0.20 0.00 -1.84 -3.41 103.07 98.87 1a14 h GLY 100 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1a14 h GLY 100 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1a14 n GLY 101 N -1.25 -2.44 3.15 4.60 0.00 -1.25 -5.01 105.19 102.99 1a14 n GLY 101 Ca -0.01 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1a14 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a14 s THR 102 N -2.77 -0.37 -0.17 2.61 2.01 0.29 -4.69 115.64 112.53 1a14 s THR 102 Ca 0.00 0.19 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 1a14 s THR 102 Cb 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1a14 s THR 102 CO 0.00 0.08 0.54 0.00 -0.69 0.00 0.00 174.62 174.54 1a14 s ALA 103 N 2.14 3.52 0.00 7.40 0.00 -0.22 0.33 121.76 134.93 1a14 s ALA 103 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1a14 s ALA 103 Cb -0.11 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1a14 s ALA 103 CO -0.11 -0.34 0.27 0.00 0.00 0.00 0.00 175.76 175.59