#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 s GLN 3 N 0.00 1.81 -0.02 0.00 2.00 -1.24 -4.58 119.66 117.63 3cf5 s GLN 3 Ca 0.00 -0.69 -0.38 0.00 -2.00 0.00 0.00 55.36 52.29 3cf5 s GLN 3 Cb 0.00 -2.22 -0.17 0.00 0.80 0.00 0.00 33.01 31.42 3cf5 s GLN 3 CO 0.00 -0.42 1.43 0.44 -0.50 0.00 0.00 175.29 176.25 3cf5 n ILE 4 N 4.77 0.08 -1.00 -2.34 -5.35 -1.26 -4.07 119.36 110.18 3cf5 n ILE 4 Ca -0.14 -0.01 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 3cf5 n ILE 4 Cb 0.47 -0.89 0.24 0.00 -1.74 0.00 0.00 39.64 37.73 3cf5 n ILE 4 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3cf5 s ASN 5 N 1.27 0.82 0.00 7.28 0.02 -1.26 -4.60 114.94 118.47 3cf5 s ASN 5 Ca 0.88 0.71 0.00 0.00 -1.02 0.00 0.00 52.86 53.43 3cf5 s ASN 5 Cb -1.00 -1.00 0.00 0.00 0.02 0.00 0.00 41.25 39.27 3cf5 s ASN 5 CO 0.52 -4.19 0.00 0.52 0.02 0.00 0.00 177.10 173.97 3cf5 n VAL 6 N -4.82 0.00 -4.79 1.60 0.31 -1.26 -4.81 118.33 104.56 3cf5 n VAL 6 Ca 0.12 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.14 3cf5 n VAL 6 Cb 0.59 -0.39 -0.13 0.00 -0.91 0.00 0.00 33.84 33.00 3cf5 n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3cf5 s ILE 7 N -1.67 2.85 -1.47 2.52 -1.09 -1.26 -4.80 121.20 116.27 3cf5 s ILE 7 Ca 0.00 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.40 3cf5 s ILE 7 Cb 0.00 -2.16 0.01 0.00 -1.58 0.00 0.00 42.46 38.73 3cf5 s ILE 7 CO 0.00 0.44 0.30 0.61 -1.23 0.00 0.00 174.94 175.07 3cf5 n GLY 8 N 1.88 -0.20 0.00 6.18 0.00 -1.26 -3.14 105.19 108.65 3cf5 n GLY 8 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3cf5 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLN 9 N -4.46 0.00 -2.38 1.61 10.64 -1.26 -4.94 117.38 116.59 3cf5 n GLN 9 Ca -0.30 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 54.85 3cf5 n GLN 9 Cb 0.68 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 30.04 3cf5 n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3cf5 n ASN 10 N 0.00 -0.80 0.00 2.61 2.85 -1.26 -4.52 115.26 114.14 3cf5 n ASN 10 Ca 0.00 -1.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.05 3cf5 n ASN 10 Cb 0.00 0.76 0.00 0.00 1.24 0.00 0.00 39.78 41.78 3cf5 n ASN 10 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3cf5 n GLY 11 N -0.40 -1.75 0.00 8.20 0.00 -1.26 -4.52 105.19 105.46 3cf5 n GLY 11 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3cf5 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 12 N 0.67 1.51 0.00 -0.02 0.00 -1.26 -4.54 105.19 101.55 3cf5 n GLY 12 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3cf5 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 n ARG 13 N 0.00 0.00 -1.42 1.61 3.00 -1.26 -3.08 116.66 115.51 3cf5 n ARG 13 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 3cf5 n ARG 13 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.55 3cf5 n ARG 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3cf5 s THR 14 N -0.79 2.41 0.00 0.55 2.01 -1.26 -2.96 115.64 115.61 3cf5 s THR 14 Ca 0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3cf5 s THR 14 Cb 0.00 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3cf5 s THR 14 CO 0.00 -0.12 0.00 -0.38 -0.69 0.00 0.00 174.62 173.43 3cf5 n ILE 15 N -2.80 -1.31 -2.37 1.82 5.41 -1.26 -1.85 119.36 117.00 3cf5 n ILE 15 Ca 0.13 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.46 3cf5 n ILE 15 Cb 0.51 -1.70 -0.03 0.00 -0.71 0.00 0.00 39.64 37.71 3cf5 n ILE 15 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3cf5 s GLU 16 N -1.00 4.42 -0.15 0.38 2.02 -1.26 -4.41 118.70 118.70 3cf5 s GLU 16 Ca 0.00 1.84 -0.06 0.00 0.02 0.00 0.00 54.97 56.77 3cf5 s GLU 16 Cb 0.00 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3cf5 s GLU 16 CO 0.00 -0.27 0.04 -0.51 0.02 0.00 0.00 175.26 174.54 3cf5 s LEU 17 N 0.89 3.72 -0.11 1.80 1.02 -1.26 -5.06 118.68 119.69 3cf5 s LEU 17 Ca 0.59 0.09 -0.36 0.00 0.02 0.00 0.00 54.13 54.47 3cf5 s LEU 17 Cb -0.31 -1.91 -0.17 0.00 0.02 0.00 0.00 46.19 43.81 3cf5 s LEU 17 CO 0.30 0.23 1.04 -2.65 0.02 0.00 0.00 176.35 175.29 3cf5 n PRO 18 N 3.14 0.00 -3.69 1.29 -0.02 -1.26 -5.00 135.00 129.46 3cf5 n PRO 18 Ca -0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.99 3cf5 n PRO 18 Cb 0.53 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 3cf5 n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cf5 s LEU 19 N 0.65 4.28 -0.01 2.45 1.43 -1.26 -3.67 118.68 122.55 3cf5 s LEU 19 Ca 0.82 0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 3cf5 s LEU 19 Cb -1.15 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 3cf5 s LEU 19 CO 0.55 0.08 0.46 1.55 0.23 0.00 0.00 176.35 179.21 3cf5 h PRO 20 N 2.96 -0.12 -1.89 1.29 0.13 -2.04 -3.44 132.00 128.89 3cf5 h PRO 20 Ca -0.46 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 3cf5 h PRO 20 Cb 1.17 0.03 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 3cf5 h PRO 20 CO 0.72 -0.08 -1.09 0.39 -0.23 0.00 0.00 178.00 177.71 3cf5 n GLU 21 N -2.72 0.76 -1.56 0.86 1.02 -1.25 -5.09 120.64 112.66 3cf5 n GLU 21 Ca -0.02 -3.17 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 3cf5 n GLU 21 Cb 0.05 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3cf5 n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3cf5 n VAL 22 N 1.21 -5.18 -3.81 2.62 0.31 -1.24 -4.97 118.33 107.27 3cf5 n VAL 22 Ca 0.21 2.33 -0.29 0.00 -0.01 0.00 0.00 64.34 66.58 3cf5 n VAL 22 Cb 0.56 -3.19 -0.16 0.00 -0.91 0.00 0.00 33.84 30.14 3cf5 n VAL 22 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3cf5 s ASN 23 N -3.05 3.34 0.25 4.52 3.84 -1.26 -5.00 114.94 117.58 3cf5 s ASN 23 Ca 0.00 -1.02 -0.03 0.00 0.21 0.00 0.00 52.86 52.02 3cf5 s ASN 23 Cb 0.00 -0.83 0.45 0.00 -0.55 0.00 0.00 41.25 40.32 3cf5 s ASN 23 CO 0.00 -0.29 1.78 0.77 -2.79 0.00 0.00 177.10 176.57 3cf5 h SER 24 N 8.12 0.53 -0.99 -4.21 4.64 -1.97 0.61 113.55 120.29 3cf5 h SER 24 Ca -0.17 0.08 0.17 0.00 -0.47 0.00 0.00 61.79 61.40 3cf5 h SER 24 Cb 1.09 -0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 63.00 3cf5 h SER 24 CO 0.37 0.26 -0.33 0.61 -0.87 0.00 0.00 176.83 176.87 3cf5 n GLY 25 N -1.32 -1.89 0.37 -0.77 0.00 -1.26 0.27 105.19 100.59 3cf5 n GLY 25 Ca 0.15 1.09 -0.16 0.00 0.00 0.00 0.00 46.02 47.09 3cf5 n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cf5 h VAL 26 N 0.00 0.23 -1.11 1.61 2.07 -1.34 -0.84 116.25 116.87 3cf5 h VAL 26 Ca 0.39 -0.23 0.32 0.00 0.82 0.00 0.00 66.70 68.00 3cf5 h VAL 26 Cb 0.64 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3cf5 h VAL 26 CO -0.99 0.02 0.87 -0.07 0.02 0.00 0.00 177.57 177.42 3cf5 h LEU 27 N -1.08 0.00 0.50 2.57 4.07 0.43 0.22 115.31 122.03 3cf5 h LEU 27 Ca -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 3cf5 h LEU 27 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3cf5 h LEU 27 CO 0.15 0.00 -0.24 -0.74 -1.08 0.00 0.00 178.44 176.53 3cf5 h HIS 28 N 0.00 -0.63 -0.99 1.13 2.76 0.48 -2.75 115.15 115.16 3cf5 h HIS 28 Ca 0.53 -0.01 0.38 0.00 -2.20 0.00 0.00 60.37 59.07 3cf5 h HIS 28 Cb 2.26 0.21 -0.14 0.00 1.55 0.00 0.00 27.41 31.28 3cf5 h HIS 28 CO 0.00 -0.39 0.58 -1.91 -1.30 0.00 0.00 177.93 174.91 3cf5 n GLU 29 N -4.97 -0.04 0.00 5.26 2.13 0.64 -2.75 120.64 120.91 3cf5 n GLU 29 Ca -0.08 1.16 0.00 0.00 0.66 0.00 0.00 57.16 58.89 3cf5 n GLU 29 Cb 0.27 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.83 3cf5 n GLU 29 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3cf5 n VAL 30 N -4.77 0.00 0.00 6.31 0.31 -0.41 -3.17 118.33 116.60 3cf5 n VAL 30 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 3cf5 n VAL 30 Cb 1.21 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 3cf5 n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3cf5 n VAL 31 N 0.00 0.00 -0.08 2.52 0.24 -1.06 0.21 118.33 120.16 3cf5 n VAL 31 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 3cf5 n VAL 31 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3cf5 n VAL 31 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3cf5 n THR 32 N 0.00 -0.13 -0.30 3.34 -1.04 -1.11 0.63 114.28 115.67 3cf5 n THR 32 Ca 0.00 1.33 -0.08 0.00 -2.04 0.00 0.00 64.05 63.26 3cf5 n THR 32 Cb 0.00 -1.73 -0.07 0.00 -1.82 0.00 0.00 70.33 66.71 3cf5 n THR 32 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 3cf5 n TRP 33 N -3.31 -0.31 -0.09 -1.42 -0.00 0.13 0.17 117.44 112.60 3cf5 n TRP 33 Ca 0.00 0.89 -0.08 0.00 -0.00 0.00 0.00 57.50 58.31 3cf5 n TRP 33 Cb 0.05 -0.54 -0.02 0.00 -0.00 0.00 0.00 31.31 30.80 3cf5 n TRP 33 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3cf5 h GLN 34 N 0.00 -0.27 -0.47 5.87 4.20 0.04 0.10 115.11 124.58 3cf5 h GLN 34 Ca 0.11 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.89 3cf5 h GLN 34 Cb 0.29 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3cf5 h GLN 34 CO -0.67 -0.18 0.22 -0.07 -0.67 0.00 0.00 178.83 177.46 3cf5 h LEU 35 N -0.28 0.29 -0.79 1.46 3.38 0.32 0.04 115.31 119.73 3cf5 h LEU 35 Ca 0.16 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.34 3cf5 h LEU 35 Cb 0.53 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 3cf5 h LEU 35 CO -0.50 0.21 0.21 0.00 0.09 0.00 0.00 178.44 178.45 3cf5 h ALA 36 N 1.27 1.07 -0.61 1.53 0.00 0.40 0.18 119.26 123.10 3cf5 h ALA 36 Ca 0.21 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 3cf5 h ALA 36 Cb 0.15 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3cf5 h ALA 36 CO -0.17 -0.36 0.09 0.66 0.00 0.00 0.00 179.25 179.47 3cf5 h SER 37 N 0.27 0.96 0.86 0.00 4.64 0.63 -1.98 113.55 118.93 3cf5 h SER 37 Ca 0.46 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 3cf5 h SER 37 Cb 0.83 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3cf5 h SER 37 CO -0.55 0.96 -0.24 0.03 -0.87 0.00 0.00 176.83 176.16 3cf5 h ARG 38 N 0.94 0.00 -6.31 4.77 3.08 -0.05 -3.42 114.38 113.39 3cf5 h ARG 38 Ca 0.19 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.70 3cf5 h ARG 38 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3cf5 h ARG 38 CO 0.01 0.24 1.22 0.50 -1.07 0.00 0.00 179.97 180.87 3cf5 s ARG 39 N -3.70 4.07 0.71 0.04 3.52 0.43 -4.95 118.95 119.07 3cf5 s ARG 39 Ca 0.00 2.46 -0.02 0.00 -0.13 0.00 0.00 55.73 58.05 3cf5 s ARG 39 Cb 0.11 -4.14 0.11 0.00 -1.56 0.00 0.00 34.95 29.47 3cf5 s ARG 39 CO 0.64 -1.03 0.98 0.50 -0.81 0.00 0.00 175.30 175.59 3cf5 s ARG 40 N 4.52 1.77 -0.32 5.12 3.52 -1.26 -4.83 118.95 127.47 3cf5 s ARG 40 Ca 0.86 -0.97 -0.03 0.00 -0.13 0.00 0.00 55.73 55.46 3cf5 s ARG 40 Cb -0.40 -2.31 0.06 0.00 -1.56 0.00 0.00 34.95 30.74 3cf5 s ARG 40 CO 0.38 -1.39 0.05 0.20 -0.81 0.00 0.00 175.30 173.73 3cf5 s GLY 41 N -4.69 1.81 -0.29 8.12 0.00 -1.25 -4.91 107.32 106.11 3cf5 s GLY 41 Ca 0.65 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 3cf5 s GLY 41 CO 0.44 0.76 0.18 -0.51 0.00 0.00 0.00 173.10 173.97 3cf5 s THR 42 N 1.25 -0.17 -0.64 0.90 -4.23 -1.26 -4.65 115.64 106.84 3cf5 s THR 42 Ca -0.02 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 3cf5 s THR 42 Cb -0.20 -0.98 0.19 0.00 1.34 0.00 0.00 72.50 72.84 3cf5 s THR 42 CO -0.01 -0.66 0.52 0.00 -0.54 0.00 0.00 174.62 173.94 3cf5 n ALA 43 N 5.25 3.42 -2.16 3.99 0.00 -1.26 -4.90 120.51 124.85 3cf5 n ALA 43 Ca -0.05 -4.32 -0.30 0.00 0.00 0.00 0.00 53.44 48.78 3cf5 n ALA 43 Cb 0.43 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 3cf5 n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3cf5 s SER 44 N -1.43 5.43 -0.28 0.00 0.15 -1.26 -4.36 113.70 111.95 3cf5 s SER 44 Ca 0.29 -0.89 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 3cf5 s SER 44 Cb 0.02 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.90 3cf5 s SER 44 CO -0.14 -2.49 0.58 -0.89 1.20 0.00 0.00 173.24 171.50 3cf5 s THR 45 N 9.03 -0.91 -0.01 6.45 2.01 -1.26 -4.96 115.64 125.99 3cf5 s THR 45 Ca 0.65 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.68 3cf5 s THR 45 Cb -0.05 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.54 3cf5 s THR 45 CO -0.02 0.01 1.45 0.54 -0.69 0.00 0.00 174.62 175.91 3cf5 n ARG 46 N 5.43 1.01 -0.07 4.92 5.12 -1.26 -4.56 116.66 127.25 3cf5 n ARG 46 Ca -0.09 -0.03 -0.02 0.00 -1.93 0.00 0.00 57.85 55.78 3cf5 n ARG 46 Cb 0.50 -1.01 -0.02 0.00 -1.16 0.00 0.00 32.46 30.77 3cf5 n ARG 46 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3cf5 n THR 47 N 0.92 -0.11 -1.52 0.55 -1.04 -1.26 -2.88 114.28 108.94 3cf5 n THR 47 Ca 0.01 0.47 -0.50 0.00 -2.04 0.00 0.00 64.05 61.99 3cf5 n THR 47 Cb 0.51 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.36 3cf5 n THR 47 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3cf5 n ARG 48 N -3.79 1.33 0.29 -2.82 3.00 -1.26 -0.56 116.66 112.85 3cf5 n ARG 48 Ca 0.00 0.40 0.11 0.00 -0.01 0.00 0.00 57.85 58.35 3cf5 n ARG 48 Cb 0.04 -2.53 0.58 0.00 0.00 0.00 0.00 32.46 30.55 3cf5 n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3cf5 h ALA 49 N 11.70 1.40 0.00 7.54 0.00 -1.80 1.17 119.26 139.28 3cf5 h ALA 49 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3cf5 h ALA 49 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3cf5 h ALA 49 CO 1.00 -0.40 -1.15 0.94 0.00 0.00 0.00 179.25 179.63 3cf5 n GLN 50 N -2.62 0.43 0.00 0.00 7.27 -1.26 -4.05 117.38 117.15 3cf5 n GLN 50 Ca -0.01 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.21 3cf5 n GLN 50 Cb 0.46 -1.65 0.74 0.00 2.41 0.00 0.00 30.24 32.21 3cf5 n GLN 50 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3cf5 n VAL 51 N -2.21 0.00 -2.95 1.69 0.24 0.40 -4.85 118.33 110.65 3cf5 n VAL 51 Ca 0.01 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.34 62.11 3cf5 n VAL 51 Cb 0.49 -0.43 0.03 0.00 -1.47 0.00 0.00 33.84 32.46 3cf5 n VAL 51 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3cf5 s SER 52 N -2.52 5.44 -0.15 -1.34 1.04 -1.22 -4.98 113.70 109.97 3cf5 s SER 52 Ca 0.30 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.11 3cf5 s SER 52 Cb 0.20 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3cf5 s SER 52 CO 0.46 -0.97 0.37 -0.54 0.98 0.00 0.00 173.24 173.54 3cf5 s LYS 53 N -4.50 4.27 0.00 4.02 -0.14 -1.26 -5.04 119.74 117.10 3cf5 s LYS 53 Ca 0.57 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 3cf5 s LYS 53 Cb -0.09 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 3cf5 s LYS 53 CO 0.35 0.17 0.00 2.41 -0.76 0.00 0.00 175.35 177.52 3cf5 n THR 54 N 3.73 0.00 0.00 2.17 -1.04 -1.26 -4.90 114.28 112.98 3cf5 n THR 54 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3cf5 n THR 54 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3cf5 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cf5 n GLY 55 N -0.19 -3.39 0.00 3.41 0.00 -1.26 -4.99 105.19 98.78 3cf5 n GLY 55 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3cf5 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 n ARG 56 N 0.00 2.96 -4.24 1.61 5.12 -1.26 -4.75 116.66 116.10 3cf5 n ARG 56 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 3cf5 n ARG 56 Cb 0.00 -0.66 -0.08 0.00 -1.16 0.00 0.00 32.46 30.56 3cf5 n ARG 56 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3cf5 s LYS 57 N -0.98 2.34 0.00 5.56 1.02 -1.26 -4.34 119.74 122.08 3cf5 s LYS 57 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3cf5 s LYS 57 Cb 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3cf5 s LYS 57 CO 0.00 0.42 0.00 -0.12 -0.92 0.00 0.00 175.35 174.73 3cf5 n MET 58 N -0.35 0.00 0.00 1.68 1.56 -0.78 -4.83 117.12 114.40 3cf5 n MET 58 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.34 3cf5 n MET 58 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 3cf5 n MET 58 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3cf5 n TYR 59 N 0.00 0.00 -3.86 1.12 4.02 -1.26 -5.11 117.16 112.07 3cf5 n TYR 59 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 3cf5 n TYR 59 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.16 3cf5 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3cf5 s GLY 60 N 0.00 0.95 0.16 2.72 0.00 -1.26 -4.98 107.32 104.91 3cf5 s GLY 60 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3cf5 s GLY 60 CO 0.00 1.04 0.74 -0.18 0.00 0.00 0.00 173.10 174.71 3cf5 n GLN 61 N 4.88 -0.04 -3.87 2.90 -0.06 -1.26 -4.46 117.38 115.47 3cf5 n GLN 61 Ca -0.11 0.69 -0.09 0.00 -2.00 0.00 0.00 57.00 55.49 3cf5 n GLN 61 Cb 0.47 -1.14 -0.05 0.00 -4.06 0.00 0.00 30.24 25.45 3cf5 n GLN 61 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3cf5 s LYS 62 N -5.13 1.28 -1.34 3.69 2.36 -1.26 -4.68 119.74 114.66 3cf5 s LYS 62 Ca -0.06 -1.05 0.00 0.00 -2.55 0.00 0.00 55.97 52.31 3cf5 s LYS 62 Cb 0.15 0.44 0.00 0.00 -1.05 0.00 0.00 37.83 37.37 3cf5 s LYS 62 CO 0.37 -0.51 0.00 0.41 1.55 0.00 0.00 175.35 177.17 3cf5 n GLY 63 N -0.28 0.34 0.09 5.54 0.00 -1.26 -4.85 105.19 104.77 3cf5 n GLY 63 Ca -0.08 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3cf5 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cf5 n THR 64 N -3.54 1.35 0.00 2.61 -2.24 -1.26 -5.03 114.28 106.17 3cf5 n THR 64 Ca -0.16 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3cf5 n THR 64 Cb 0.58 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3cf5 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cf5 n GLY 65 N 1.68 0.72 1.99 3.38 0.00 -1.26 -5.04 105.19 106.66 3cf5 n GLY 65 Ca -0.28 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3cf5 n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf5 n ASN 66 N 0.00 -2.45 0.00 1.61 3.02 -1.26 -4.99 115.26 111.19 3cf5 n ASN 66 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 3cf5 n ASN 66 Cb 0.00 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 3cf5 n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf5 n ALA 67 N 1.89 0.00 -1.73 5.41 0.00 -1.26 -5.10 120.51 119.71 3cf5 n ALA 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3cf5 n ARG 68 N 0.00 -0.27 -4.32 0.00 0.63 -1.26 -5.10 116.66 106.34 3cf5 n ARG 68 Ca 0.00 0.70 -0.18 0.00 -0.92 0.00 0.00 57.85 57.45 3cf5 n ARG 68 Cb 0.00 -2.17 -0.09 0.00 0.45 0.00 0.00 32.46 30.65 3cf5 n ARG 68 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3cf5 s HIS 69 N -2.32 1.56 0.00 -0.14 3.76 -1.26 -5.13 115.29 111.76 3cf5 s HIS 69 Ca 0.02 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 3cf5 s HIS 69 Cb -0.00 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 32.86 3cf5 s HIS 69 CO 0.12 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 3cf5 n GLY 70 N -0.54 0.03 3.66 -2.22 0.00 -1.26 -4.66 105.19 100.20 3cf5 n GLY 70 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3cf5 n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf5 n ASP 71 N -2.34 2.58 -0.71 1.61 9.92 -1.26 -1.86 116.55 124.49 3cf5 n ASP 71 Ca 0.00 -2.76 0.08 0.00 -0.53 0.00 0.00 54.79 51.58 3cf5 n ASP 71 Cb 0.00 -0.10 0.22 0.00 -0.64 0.00 0.00 41.12 40.60 3cf5 n ASP 71 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3cf5 n ARG 72 N -1.81 2.67 -2.61 -1.24 0.63 -1.26 -4.72 116.66 108.32 3cf5 n ARG 72 Ca 0.01 -2.67 -0.31 0.00 -0.92 0.00 0.00 57.85 53.96 3cf5 n ARG 72 Cb 0.60 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.80 3cf5 n ARG 72 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3cf5 n SER 73 N -0.53 5.44 -3.83 6.15 3.41 -1.26 -4.31 113.62 118.69 3cf5 n SER 73 Ca 0.19 -3.72 -0.12 0.00 -0.26 0.00 0.00 58.87 54.96 3cf5 n SER 73 Cb 0.78 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 3cf5 n SER 73 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3cf5 s VAL 74 N -4.88 0.04 0.08 -3.33 -7.23 -1.26 -3.88 120.40 99.94 3cf5 s VAL 74 Ca 0.47 -0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.39 3cf5 s VAL 74 Cb 0.33 -0.35 0.10 0.00 0.56 0.00 0.00 36.38 37.01 3cf5 s VAL 74 CO -0.19 -0.18 0.23 -2.65 -0.31 0.00 0.00 175.10 172.00 3cf5 n PRO 75 N 2.23 -0.00 -0.05 4.82 -0.02 -1.25 0.38 135.00 141.10 3cf5 n PRO 75 Ca -0.17 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3cf5 n PRO 75 Cb 0.57 -0.37 0.35 0.00 -0.02 0.00 0.00 33.50 34.03 3cf5 n PRO 75 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cf5 n THR 76 N -2.45 0.14 -4.06 3.45 -2.24 -1.26 -4.88 114.28 102.99 3cf5 n THR 76 Ca 0.06 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 3cf5 n THR 76 Cb 0.28 0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 3cf5 n THR 76 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3cf5 s PHE 77 N -1.86 3.07 -0.45 4.78 0.40 1.21 -5.01 117.98 120.13 3cf5 s PHE 77 Ca 0.34 -0.37 -0.28 0.00 -0.60 0.00 0.00 56.93 56.02 3cf5 s PHE 77 Cb 0.20 -2.09 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 3cf5 s PHE 77 CO 0.30 -0.18 2.36 0.28 0.70 0.00 0.00 175.22 178.68 3cf5 n VAL 78 N 4.17 0.07 0.00 -0.44 0.31 -1.26 -0.59 118.33 120.59 3cf5 n VAL 78 Ca -0.17 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 3cf5 n VAL 78 Cb 0.52 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 3cf5 n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 79 N 6.07 1.34 0.00 2.92 0.00 -1.26 -5.09 105.19 109.17 3cf5 n GLY 79 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3cf5 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 80 N -0.06 1.10 3.95 -0.02 0.00 0.24 -4.95 105.19 105.45 3cf5 n GLY 80 Ca 0.00 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 3cf5 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cf5 s GLY 81 N 0.00 1.78 -0.72 -0.02 0.00 -1.25 -4.86 107.32 102.24 3cf5 s GLY 81 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.39 3cf5 s GLY 81 CO 0.00 -0.66 1.03 -0.62 0.00 0.00 0.00 173.10 172.85 3cf5 n VAL 82 N -3.49 3.42 -0.87 1.40 0.31 0.28 -3.91 118.33 115.46 3cf5 n VAL 82 Ca 0.15 -5.53 -0.38 0.00 -0.01 0.00 0.00 64.34 58.58 3cf5 n VAL 82 Cb 0.60 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 3cf5 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cf5 n ALA 83 N 0.45 0.16 -1.87 3.52 0.00 -1.19 -0.06 120.51 121.52 3cf5 n ALA 83 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3cf5 n ALA 83 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3cf5 n ALA 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cf5 n PHE 84 N 5.41 0.00 -1.84 0.00 0.99 -1.26 -5.06 117.46 115.69 3cf5 n PHE 84 Ca 0.38 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.53 3cf5 n PHE 84 Cb -0.02 -0.94 0.19 0.00 -1.00 0.00 0.00 39.48 37.72 3cf5 n PHE 84 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3cf5 s GLY 85 N -2.95 1.76 0.03 1.37 0.00 0.92 -5.01 107.32 103.43 3cf5 s GLY 85 Ca 0.00 -1.19 -0.25 0.00 0.00 0.00 0.00 44.72 43.29 3cf5 s GLY 85 CO 0.00 -0.40 0.75 2.56 0.00 0.00 0.00 173.10 176.01 3cf5 s PRO 86 N -5.85 4.48 0.30 2.90 0.04 -1.26 -4.92 135.00 130.69 3cf5 s PRO 86 Ca 0.74 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.90 3cf5 s PRO 86 Cb -0.04 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 3cf5 s PRO 86 CO 0.53 0.25 0.06 0.15 0.04 0.00 0.00 177.00 178.03 3cf5 s LYS 87 N 0.06 2.32 1.05 4.56 -0.14 -1.26 -4.07 119.74 122.26 3cf5 s LYS 87 Ca 0.38 -1.49 -0.12 0.00 -1.36 0.00 0.00 55.97 53.38 3cf5 s LYS 87 Cb -0.20 -2.15 0.19 0.00 -1.68 0.00 0.00 37.83 33.99 3cf5 s LYS 87 CO 0.22 0.25 0.89 -2.30 -0.76 0.00 0.00 175.35 173.65 3cf5 n PRO 88 N -1.00 -1.38 -3.06 -1.68 -0.02 -1.26 -4.58 135.00 122.02 3cf5 n PRO 88 Ca -0.05 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 3cf5 n PRO 88 Cb 0.60 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3cf5 n PRO 88 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3cf5 n ARG 89 N -4.04 -0.23 0.00 -0.52 1.85 -1.26 -4.97 116.66 107.50 3cf5 n ARG 89 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3cf5 n ARG 89 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 3cf5 n ARG 89 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3cf5 n SER 90 N 0.04 2.91 -2.75 2.89 2.88 -1.26 -3.77 113.62 114.56 3cf5 n SER 90 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 3cf5 n SER 90 Cb 0.00 0.52 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 3cf5 n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cf5 n TYR 91 N -0.98 -1.12 -3.44 0.66 4.19 -1.26 -4.85 117.16 110.37 3cf5 n TYR 91 Ca 0.00 0.47 0.01 0.00 3.31 0.00 0.00 57.90 61.69 3cf5 n TYR 91 Cb 0.06 -1.13 -0.03 0.00 0.49 0.00 0.00 39.34 38.73 3cf5 n TYR 91 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3cf5 s ASP 92 N -1.73 -1.05 0.13 2.98 -1.08 -1.26 -4.20 116.67 110.45 3cf5 s ASP 92 Ca 0.08 1.15 0.01 0.00 -0.52 0.00 0.00 52.55 53.28 3cf5 s ASP 92 Cb -0.01 2.08 0.01 0.00 -1.46 0.00 0.00 42.92 43.55 3cf5 s ASP 92 CO 0.43 -0.20 0.12 0.00 0.52 0.00 0.00 175.17 176.04 3cf5 n TYR 93 N 5.35 -1.68 -3.72 -5.34 -0.00 -1.26 -5.03 117.16 105.49 3cf5 n TYR 93 Ca -0.08 -0.52 -0.34 0.00 -0.00 0.00 0.00 57.90 56.96 3cf5 n TYR 93 Cb 0.51 -0.11 -0.08 0.00 -0.00 0.00 0.00 39.34 39.66 3cf5 n TYR 93 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3cf5 n THR 94 N -0.92 2.61 -1.56 -3.48 -2.24 -1.26 -4.99 114.28 102.44 3cf5 n THR 94 Ca 0.01 -5.05 -0.51 0.00 -2.27 0.00 0.00 64.05 56.22 3cf5 n THR 94 Cb 0.14 -2.32 -0.05 0.00 -2.10 0.00 0.00 70.33 66.00 3cf5 n THR 94 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3cf5 n LEU 95 N 2.17 1.24 -4.47 3.22 0.00 -1.26 -4.75 117.00 113.16 3cf5 n LEU 95 Ca 0.21 1.14 -0.46 0.00 0.00 0.00 0.00 56.01 56.90 3cf5 n LEU 95 Cb 0.36 -1.15 -0.02 0.00 0.00 0.00 0.00 43.42 42.61 3cf5 n LEU 95 CO 0.34 -1.36 0.18 -2.65 0.00 0.00 0.00 177.39 173.89 3cf5 n PRO 96 N 1.97 0.53 -0.11 1.96 -0.02 -1.26 -4.87 135.00 133.21 3cf5 n PRO 96 Ca 0.17 0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.77 3cf5 n PRO 96 Cb 0.20 -1.35 0.01 0.00 -0.02 0.00 0.00 33.50 32.35 3cf5 n PRO 96 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cf5 h ARG 97 N 1.29 0.36 -0.26 -0.52 2.43 -2.02 -3.10 114.38 112.56 3cf5 h ARG 97 Ca -0.34 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 3cf5 h ARG 97 Cb 1.40 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3cf5 h ARG 97 CO 0.57 0.24 0.24 0.37 -1.51 0.00 0.00 179.97 179.89 3cf5 h GLN 98 N 0.37 0.00 0.00 0.20 4.15 -2.00 -1.59 115.11 116.24 3cf5 h GLN 98 Ca 0.15 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.34 3cf5 h GLN 98 Cb 0.06 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3cf5 h GLN 98 CO -0.10 0.00 -1.20 0.28 -1.93 0.00 0.00 178.83 175.88 3cf5 h VAL 99 N 0.00 1.38 -0.27 2.39 2.07 -1.90 -1.17 116.25 118.75 3cf5 h VAL 99 Ca 0.12 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.49 3cf5 h VAL 99 Cb 0.61 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3cf5 h VAL 99 CO -0.00 0.79 -0.01 0.03 0.02 0.00 0.00 177.57 178.40 3cf5 h ARG 100 N 0.00 0.41 0.39 1.57 3.08 -1.33 0.39 114.38 118.89 3cf5 h ARG 100 Ca -0.10 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3cf5 h ARG 100 Cb 1.82 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3cf5 h ARG 100 CO 0.11 0.44 -0.19 1.96 -1.07 0.00 0.00 179.97 181.22 3cf5 h GLN 101 N 0.39 -0.51 0.00 0.04 1.08 -1.29 -2.55 115.11 112.28 3cf5 h GLN 101 Ca 0.09 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3cf5 h GLN 101 Cb 0.28 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3cf5 h GLN 101 CO 0.01 -0.34 0.27 -0.11 -0.95 0.00 0.00 178.83 177.71 3cf5 n LEU 102 N -4.06 0.37 0.00 1.46 0.00 -0.46 -2.69 117.00 111.62 3cf5 n LEU 102 Ca -0.07 0.58 0.00 0.00 0.00 0.00 0.00 56.01 56.53 3cf5 n LEU 102 Cb 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 43.42 43.09 3cf5 n LEU 102 CO 0.16 -0.71 0.00 0.61 0.00 0.00 0.00 177.39 177.45 3cf5 n GLY 103 N -1.28 -1.85 0.45 -3.96 0.00 0.13 -1.65 105.19 97.04 3cf5 n GLY 103 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.22 3cf5 n GLY 103 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3cf5 h LEU 104 N 0.00 0.00 0.00 0.99 -0.00 -1.64 0.62 115.31 115.27 3cf5 h LEU 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3cf5 h LEU 104 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3cf5 h LEU 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3cf5 n ALA 105 N -2.14 -0.09 0.14 0.17 0.00 -1.10 0.10 120.51 117.59 3cf5 n ALA 105 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.63 3cf5 n ALA 105 Cb 1.14 0.07 0.28 0.00 0.00 0.00 0.00 19.45 20.94 3cf5 n ALA 105 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3cf5 n MET 106 N -0.99 0.07 -0.04 0.00 0.00 0.19 0.82 117.12 117.16 3cf5 n MET 106 Ca 0.00 0.52 -0.12 0.00 -0.00 0.00 0.00 57.70 58.11 3cf5 n MET 106 Cb 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 33.22 31.06 3cf5 n MET 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3cf5 h ALA 107 N 1.09 -0.03 -0.28 -5.12 0.00 0.46 -3.16 119.26 112.23 3cf5 h ALA 107 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3cf5 h ALA 107 Cb 0.65 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3cf5 h ALA 107 CO 0.00 -0.07 -0.30 0.82 0.00 0.00 0.00 179.25 179.70 3cf5 h ILE 108 N -0.92 0.30 -0.29 0.00 5.03 0.70 0.67 117.51 123.01 3cf5 h ILE 108 Ca -0.00 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.77 3cf5 h ILE 108 Cb 0.74 0.30 -0.04 0.00 -3.03 0.00 0.00 36.82 34.79 3cf5 h ILE 108 CO 0.00 0.00 -0.26 0.00 -0.68 0.00 0.00 178.15 177.22 3cf5 h ALA 109 N 0.68 -0.41 -1.00 1.87 0.00 -1.49 2.46 119.26 121.37 3cf5 h ALA 109 Ca 0.14 0.02 0.39 0.00 0.00 0.00 0.00 54.91 55.46 3cf5 h ALA 109 Cb 0.52 1.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 3cf5 h ALA 109 CO -0.44 -0.56 0.52 0.77 0.00 0.00 0.00 179.25 179.55 3cf5 h SER 110 N -0.11 0.33 0.59 0.00 0.02 -1.23 3.38 113.55 116.52 3cf5 h SER 110 Ca 0.05 0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 3cf5 h SER 110 Cb 0.24 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3cf5 h SER 110 CO -0.33 -0.37 -0.46 0.03 -1.14 0.00 0.00 176.83 174.57 3cf5 h ARG 111 N 0.07 0.00 0.00 3.45 2.47 0.58 -3.30 114.38 117.65 3cf5 h ARG 111 Ca 0.81 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 59.37 3cf5 h ARG 111 Cb 2.08 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.37 3cf5 h ARG 111 CO -0.74 0.46 -0.86 1.96 0.56 0.00 0.00 179.97 181.35 3cf5 h GLN 112 N 0.00 0.01 0.00 0.04 1.08 1.63 0.96 115.11 118.83 3cf5 h GLN 112 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3cf5 h GLN 112 Cb 0.87 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3cf5 h GLN 112 CO 0.06 1.01 0.09 0.39 -0.95 0.00 0.00 178.83 179.42 3cf5 n GLU 113 N -4.47 0.00 0.09 1.46 1.02 0.17 -4.10 120.64 114.80 3cf5 n GLU 113 Ca -0.25 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3cf5 n GLU 113 Cb 0.62 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3cf5 n GLU 113 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf5 n GLY 114 N -1.11 -0.40 2.54 0.62 0.00 -1.24 -5.05 105.19 100.55 3cf5 n GLY 114 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3cf5 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 115 N 0.92 1.97 1.08 -0.02 0.00 -1.12 -5.13 105.19 102.89 3cf5 n GLY 115 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 3cf5 n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cf5 n LYS 116 N -0.01 -0.46 0.00 1.61 2.85 0.33 -3.46 118.16 119.02 3cf5 n LYS 116 Ca 0.11 -0.57 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 3cf5 n LYS 116 Cb 0.76 -0.39 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 3cf5 n LYS 116 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3cf5 n LEU 117 N 0.00 0.00 0.00 -5.58 0.00 -0.92 -4.71 117.00 105.78 3cf5 n LEU 117 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.03 3cf5 n LEU 117 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.59 3cf5 n LEU 117 CO 0.12 0.00 0.04 1.33 0.00 0.00 0.00 177.39 178.88 3cf5 n VAL 118 N 0.00 0.00 -3.65 1.96 0.24 -1.26 -0.78 118.33 114.84 3cf5 n VAL 118 Ca 0.00 -0.26 -0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3cf5 n VAL 118 Cb 0.00 -0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 31.47 3cf5 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf5 s ALA 119 N -2.09 -2.43 -0.33 2.33 0.00 -1.23 -4.40 121.76 113.60 3cf5 s ALA 119 Ca 0.07 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3cf5 s ALA 119 Cb -0.01 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.32 3cf5 s ALA 119 CO 0.05 -0.20 0.05 0.08 0.00 0.00 0.00 175.76 175.74 3cf5 s VAL 120 N 0.50 2.76 0.26 0.00 1.01 -1.19 -3.21 120.40 120.53 3cf5 s VAL 120 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3cf5 s VAL 120 Cb -0.04 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3cf5 s VAL 120 CO -0.13 -0.37 0.00 -0.67 0.00 0.00 0.00 175.10 173.93 3cf5 n ASP 121 N 4.49 -5.01 -3.15 3.32 -0.08 -1.26 -4.09 116.55 110.77 3cf5 n ASP 121 Ca -0.06 0.95 -0.37 0.00 -1.51 0.00 0.00 54.79 53.80 3cf5 n ASP 121 Cb 0.42 -3.52 0.02 0.00 2.34 0.00 0.00 41.12 40.38 3cf5 n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cf5 n GLY 122 N -0.24 5.84 0.36 0.27 0.00 -1.26 -4.74 105.19 105.42 3cf5 n GLY 122 Ca 0.00 -2.60 0.09 0.00 0.00 0.00 0.00 46.02 43.52 3cf5 n GLY 122 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cf5 h PHE 123 N 3.41 0.00 -0.04 1.61 3.57 -2.03 1.00 116.94 124.45 3cf5 h PHE 123 Ca 0.46 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.98 3cf5 h PHE 123 Cb 0.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3cf5 h PHE 123 CO 1.15 0.00 0.22 0.38 -2.23 0.00 0.00 178.31 177.83 3cf5 h ASP 124 N 0.00 0.00 0.00 0.41 2.03 -1.98 -3.36 116.42 113.52 3cf5 h ASP 124 Ca 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 3cf5 h ASP 124 Cb 1.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.19 3cf5 h ASP 124 CO -0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 179.24 177.83 3cf5 n ILE 125 N -3.12 0.00 -0.77 4.15 2.08 0.35 -4.82 119.36 117.23 3cf5 n ILE 125 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3cf5 n ILE 125 Cb 0.29 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 3cf5 n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3cf5 n ALA 126 N -3.00 -1.60 -0.11 -1.39 0.00 -1.26 -4.82 120.51 108.33 3cf5 n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cf5 n ASP 127 N 0.00 -0.26 0.00 0.00 8.00 -1.26 -4.70 116.55 118.33 3cf5 n ASP 127 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3cf5 n ASP 127 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3cf5 n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cf5 n ALA 128 N 2.55 0.00 0.00 2.24 0.00 -1.26 -4.76 120.51 119.28 3cf5 n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cf5 n LYS 129 N -0.35 0.00 0.00 0.00 4.76 -1.26 -4.55 118.16 116.75 3cf5 n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3cf5 n LYS 129 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3cf5 n LYS 129 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3cf5 n THR 130 N 0.00 0.00 -0.42 -0.18 -1.04 -1.26 -4.34 114.28 107.04 3cf5 n THR 130 Ca 0.00 0.00 0.34 0.00 -2.04 0.00 0.00 64.05 62.35 3cf5 n THR 130 Cb 0.00 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.16 3cf5 n THR 130 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3cf5 h LYS 131 N 0.00 0.14 0.21 -2.82 3.64 -1.99 1.29 116.57 117.04 3cf5 h LYS 131 Ca 0.00 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 3cf5 h LYS 131 Cb 0.00 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3cf5 h LYS 131 CO 0.00 0.09 -1.43 -0.97 -2.27 0.00 0.00 179.45 174.88 3cf5 h ASN 132 N 0.15 0.69 -0.08 4.20 -1.24 -1.84 -2.97 115.58 114.47 3cf5 h ASN 132 Ca 0.73 -0.75 0.02 0.00 0.71 0.00 0.00 56.30 57.01 3cf5 h ASN 132 Cb 2.35 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 41.18 3cf5 h ASN 132 CO -0.27 1.59 0.07 0.15 -1.29 0.00 0.00 177.43 177.68 3cf5 h PHE 133 N 0.12 0.00 -0.20 0.67 3.57 0.11 0.29 116.94 121.49 3cf5 h PHE 133 Ca -0.22 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.17 3cf5 h PHE 133 Cb 2.10 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.84 3cf5 h PHE 133 CO 0.10 0.00 -0.30 0.82 -2.23 0.00 0.00 178.31 176.70 3cf5 h ILE 134 N 0.00 1.33 -0.09 1.41 2.04 0.03 -1.61 117.51 120.63 3cf5 h ILE 134 Ca 0.04 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.43 3cf5 h ILE 134 Cb 0.17 1.84 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3cf5 h ILE 134 CO -0.00 0.46 -0.41 -1.28 0.00 0.00 0.00 178.15 176.93 3cf5 h SER 135 N 0.22 -1.26 -0.29 1.72 0.87 -0.80 0.97 113.55 114.98 3cf5 h SER 135 Ca 0.02 0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3cf5 h SER 135 Cb 0.88 0.51 -0.08 0.00 -0.44 0.00 0.00 62.40 63.27 3cf5 h SER 135 CO 0.07 -0.43 -0.48 -0.25 -0.53 0.00 0.00 176.83 175.21 3cf5 h TRP 136 N -0.51 -1.41 -0.78 2.24 2.91 -1.36 0.11 115.95 117.15 3cf5 h TRP 136 Ca 0.07 0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.25 3cf5 h TRP 136 Cb 0.62 0.66 -0.11 0.00 -0.51 0.00 0.00 29.16 29.82 3cf5 h TRP 136 CO -0.45 -0.48 -0.39 0.00 -1.03 0.00 0.00 178.44 176.08 3cf5 n ALA 137 N -3.03 -0.31 -0.97 2.65 0.00 -0.09 -1.89 120.51 116.88 3cf5 n ALA 137 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.13 3cf5 n ALA 137 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3cf5 n ALA 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cf5 n LYS 138 N -5.06 0.00 -0.00 0.00 5.02 0.37 -0.75 118.16 117.73 3cf5 n LYS 138 Ca 0.05 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3cf5 n LYS 138 Cb 0.26 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3cf5 n LYS 138 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cf5 n GLN 139 N -0.28 0.00 0.00 1.97 1.13 -0.79 0.63 117.38 120.05 3cf5 n GLN 139 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3cf5 n GLN 139 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 3cf5 n GLN 139 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3cf5 n ASN 140 N 1.54 0.04 0.00 1.08 3.02 -0.36 -4.98 115.26 115.60 3cf5 n ASN 140 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 3cf5 n ASN 140 Cb 0.00 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3cf5 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cf5 n GLY 141 N 0.04 0.65 2.76 7.41 0.00 0.21 -5.00 105.19 111.26 3cf5 n GLY 141 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cf5 n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf5 n LEU 142 N 0.00 7.02 -0.21 0.99 4.77 0.07 -4.84 117.00 124.80 3cf5 n LEU 142 Ca 0.00 -4.69 -0.05 0.00 -0.03 0.00 0.00 56.01 51.24 3cf5 n LEU 142 Cb 0.00 -1.45 -0.05 0.00 -2.33 0.00 0.00 43.42 39.59 3cf5 n LEU 142 CO 0.00 1.55 0.46 0.47 -1.33 0.00 0.00 177.39 178.54 3cf5 n ASP 143 N 3.39 -0.52 0.00 -1.43 8.00 -1.26 -3.93 116.55 120.80 3cf5 n ASP 143 Ca 0.46 1.33 0.00 0.00 0.71 0.00 0.00 54.79 57.28 3cf5 n ASP 143 Cb 0.33 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3cf5 n ASP 143 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cf5 n GLY 144 N -1.12 0.54 0.00 0.44 0.00 -1.26 -4.87 105.19 98.92 3cf5 n GLY 144 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3cf5 n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cf5 n THR 145 N 0.00 0.01 -4.48 2.61 -1.04 -1.26 -4.89 114.28 105.23 3cf5 n THR 145 Ca 0.00 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 3cf5 n THR 145 Cb 0.00 1.29 -0.16 0.00 -1.82 0.00 0.00 70.33 69.64 3cf5 n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cf5 s GLU 146 N -0.01 1.20 -0.36 -2.82 0.41 -1.26 -5.04 118.70 110.82 3cf5 s GLU 146 Ca 0.00 -0.36 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 3cf5 s GLU 146 Cb 0.00 -1.08 -0.00 0.00 -1.78 0.00 0.00 34.13 31.27 3cf5 s GLU 146 CO 0.00 0.11 1.53 0.15 -0.49 0.00 0.00 175.26 176.57 3cf5 s LYS 147 N 0.28 3.57 -0.09 1.61 1.02 -1.09 -4.02 119.74 121.02 3cf5 s LYS 147 Ca -0.05 1.18 -0.01 0.00 0.02 0.00 0.00 55.97 57.11 3cf5 s LYS 147 Cb -0.10 -4.06 -0.03 0.00 -0.52 0.00 0.00 37.83 33.11 3cf5 s LYS 147 CO 0.01 -1.57 -0.04 0.08 -0.92 0.00 0.00 175.35 172.91 3cf5 s VAL 148 N 5.71 3.92 -0.29 3.17 1.01 1.68 0.16 120.40 135.76 3cf5 s VAL 148 Ca 0.67 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3cf5 s VAL 148 Cb -0.18 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3cf5 s VAL 148 CO 0.32 0.59 0.06 -0.22 0.00 0.00 0.00 175.10 175.84 3cf5 s LEU 149 N -0.66 3.76 -0.31 3.92 2.96 -0.90 0.36 118.68 127.81 3cf5 s LEU 149 Ca 0.10 -0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 53.11 3cf5 s LEU 149 Cb -0.12 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3cf5 s LEU 149 CO 0.02 -0.18 0.44 -0.76 -1.32 0.00 0.00 176.35 174.55 3cf5 s LEU 150 N 1.47 4.22 -0.02 -0.68 1.02 -0.08 -1.15 118.68 123.46 3cf5 s LEU 150 Ca 0.02 0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.34 3cf5 s LEU 150 Cb -0.17 -2.51 -0.03 0.00 0.02 0.00 0.00 46.19 43.50 3cf5 s LEU 150 CO 0.02 -0.34 -0.15 -0.69 0.02 0.00 0.00 176.35 175.21 3cf5 s VAL 151 N 2.22 3.02 0.00 -1.59 1.01 -0.77 0.53 120.40 124.82 3cf5 s VAL 151 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3cf5 s VAL 151 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3cf5 s VAL 151 CO 0.11 0.51 0.00 1.07 0.00 0.00 0.00 175.10 176.80 3cf5 n THR 152 N 2.07 0.00 0.00 3.92 5.66 0.51 -3.94 114.28 122.50 3cf5 n THR 152 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3cf5 n THR 152 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 3cf5 n THR 152 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3cf5 n ASP 153 N 0.00 0.00 -3.07 1.09 9.92 -1.26 -3.77 116.55 119.47 3cf5 n ASP 153 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 3cf5 n ASP 153 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 3cf5 n ASP 153 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3cf5 n ASP 154 N 0.00 -7.03 -0.25 -2.24 5.75 -1.26 -4.62 116.55 106.89 3cf5 n ASP 154 Ca 0.00 0.54 -0.08 0.00 -0.01 0.00 0.00 54.79 55.24 3cf5 n ASP 154 Cb 0.00 -3.57 -0.04 0.00 -1.03 0.00 0.00 41.12 36.48 3cf5 n ASP 154 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3cf5 h GLU 155 N 2.63 -0.18 0.00 0.11 4.57 -2.02 -1.58 114.58 118.11 3cf5 h GLU 155 Ca -0.15 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3cf5 h GLU 155 Cb 0.87 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3cf5 h GLU 155 CO 0.14 -0.12 0.00 -0.91 -1.18 0.00 0.00 179.01 176.94 3cf5 h ASN 156 N -0.18 0.00 0.29 1.04 2.35 -1.96 -2.95 115.58 114.17 3cf5 h ASN 156 Ca 0.19 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3cf5 h ASN 156 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3cf5 h ASN 156 CO -0.75 0.00 -0.14 0.71 -1.65 0.00 0.00 177.43 175.60 3cf5 h THR 157 N 0.00 0.00 -0.71 2.81 1.35 -1.60 -3.31 112.91 111.44 3cf5 h THR 157 Ca 0.00 -0.49 0.16 0.00 -0.55 0.00 0.00 66.41 65.53 3cf5 h THR 157 Cb 0.28 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.58 3cf5 h THR 157 CO 0.00 0.00 0.08 0.03 -0.25 0.00 0.00 175.52 175.38 3cf5 h ARG 158 N -0.89 0.17 0.00 4.72 3.08 -1.57 0.87 114.38 120.77 3cf5 h ARG 158 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3cf5 h ARG 158 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3cf5 h ARG 158 CO 0.07 0.11 0.75 -2.13 -1.07 0.00 0.00 179.97 177.70 3cf5 n ARG 159 N -5.25 0.02 -3.42 0.04 0.63 -1.12 -2.28 116.66 105.28 3cf5 n ARG 159 Ca 0.13 0.57 -0.44 0.00 -0.92 0.00 0.00 57.85 57.20 3cf5 n ARG 159 Cb 0.44 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 31.18 3cf5 n ARG 159 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cf5 s ALA 160 N -3.07 4.26 0.00 5.13 0.00 0.30 -4.78 121.76 123.60 3cf5 s ALA 160 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.40 3cf5 s ALA 160 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3cf5 s ALA 160 CO 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 175.76 173.54 3cf5 n ALA 161 N 3.26 0.00 -1.40 0.00 0.00 -0.97 -4.95 120.51 116.46 3cf5 n ALA 161 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.69 3cf5 n ALA 161 Cb 0.42 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.02 3cf5 n ALA 161 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3cf5 n ARG 162 N 0.00 1.24 -4.83 0.00 0.63 -1.26 -4.83 116.66 107.61 3cf5 n ARG 162 Ca 0.00 -2.70 -0.33 0.00 -0.92 0.00 0.00 57.85 53.90 3cf5 n ARG 162 Cb 0.00 -1.40 -0.14 0.00 0.45 0.00 0.00 32.46 31.37 3cf5 n ARG 162 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3cf5 s ASN 163 N -2.83 4.03 0.00 6.15 4.22 -1.26 -5.11 114.94 120.13 3cf5 s ASN 163 Ca 0.32 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 3cf5 s ASN 163 Cb 0.30 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 41.55 3cf5 s ASN 163 CO -0.02 0.25 0.00 1.33 -2.04 0.00 0.00 177.10 176.62 3cf5 n VAL 164 N 2.98 0.00 0.00 3.54 0.24 -1.26 -3.93 118.33 119.89 3cf5 n VAL 164 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3cf5 n VAL 164 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3cf5 n VAL 164 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3cf5 n SER 165 N 0.00 0.00 0.00 -1.34 2.88 -1.26 -2.36 113.62 111.54 3cf5 n SER 165 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cf5 n SER 165 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3cf5 n SER 165 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3cf5 n TRP 166 N -1.39 0.00 -3.96 0.66 5.03 -1.26 -2.68 117.44 113.84 3cf5 n TRP 166 Ca 0.00 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.32 3cf5 n TRP 166 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.24 3cf5 n TRP 166 CO 0.00 0.00 0.00 0.14 -0.03 0.00 0.00 177.69 177.80 3cf5 s VAL 167 N 0.00 4.27 -0.04 -0.99 -7.23 -0.99 0.47 120.40 115.88 3cf5 s VAL 167 Ca 0.00 -1.31 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3cf5 s VAL 167 Cb 0.00 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.57 3cf5 s VAL 167 CO 0.00 -0.28 -0.00 -0.55 -0.31 0.00 0.00 175.10 173.95 3cf5 s SER 168 N -3.93 0.91 0.76 4.85 0.15 0.16 -4.67 113.70 111.93 3cf5 s SER 168 Ca 0.36 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.85 3cf5 s SER 168 Cb -0.08 -0.32 0.05 0.00 -1.71 0.00 0.00 66.02 63.96 3cf5 s SER 168 CO 0.26 -0.13 1.08 -0.69 1.20 0.00 0.00 173.24 174.97 3cf5 s VAL 169 N 1.35 3.43 -0.30 4.45 1.01 -1.26 -0.90 120.40 128.18 3cf5 s VAL 169 Ca -0.05 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.27 3cf5 s VAL 169 Cb -0.13 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.26 3cf5 s VAL 169 CO -0.02 -0.61 1.01 -0.22 0.00 0.00 0.00 175.10 175.26 3cf5 s LEU 170 N -5.73 -0.54 1.16 3.92 2.96 0.19 -4.77 118.68 115.86 3cf5 s LEU 170 Ca 0.60 0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 3cf5 s LEU 170 Cb -0.15 1.49 0.19 0.00 0.50 0.00 0.00 46.19 48.23 3cf5 s LEU 170 CO 0.55 -0.10 0.35 -2.65 -1.32 0.00 0.00 176.35 173.18 3cf5 n PRO 171 N 5.31 -2.42 0.00 0.98 -0.02 -1.25 -0.37 135.00 137.23 3cf5 n PRO 171 Ca -0.07 -0.70 0.00 0.00 -2.02 0.00 0.00 63.50 60.71 3cf5 n PRO 171 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3cf5 n PRO 171 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3cf5 n VAL 172 N -4.74 0.00 -1.22 -1.45 0.31 -1.25 0.58 118.33 110.56 3cf5 n VAL 172 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 3cf5 n VAL 172 Cb 0.54 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.43 3cf5 n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cf5 n ALA 173 N 0.00 -0.15 -0.50 3.52 0.00 -1.26 -4.67 120.51 117.45 3cf5 n ALA 173 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 3cf5 n ALA 173 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 3cf5 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 174 N -0.11 2.12 0.00 0.00 0.00 0.20 -4.83 105.19 102.56 3cf5 n GLY 174 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3cf5 n GLY 174 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cf5 n VAL 175 N 2.08 0.00 0.00 1.61 0.24 -1.26 -4.89 118.33 116.11 3cf5 n VAL 175 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3cf5 n VAL 175 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3cf5 n VAL 175 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3cf5 n ASN 176 N -0.54 0.00 -0.00 -1.34 5.15 -1.26 -5.03 115.26 112.24 3cf5 n ASN 176 Ca 0.00 0.00 0.23 0.00 -0.60 0.00 0.00 54.58 54.21 3cf5 n ASN 176 Cb 0.00 0.00 0.70 0.00 -0.53 0.00 0.00 39.78 39.95 3cf5 n ASN 176 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3cf5 h VAL 177 N 0.00 0.32 0.00 3.44 2.07 -1.95 -3.17 116.25 116.97 3cf5 h VAL 177 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3cf5 h VAL 177 Cb 0.00 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3cf5 h VAL 177 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3cf5 n TYR 178 N -3.70 0.00 0.00 1.57 9.36 -1.26 -2.67 117.16 120.46 3cf5 n TYR 178 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 3cf5 n TYR 178 Cb 0.83 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.54 3cf5 n TYR 178 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3cf5 n ASP 179 N 0.00 0.00 0.13 2.98 8.00 -1.22 0.12 116.55 126.55 3cf5 n ASP 179 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3cf5 n ASP 179 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3cf5 n ASP 179 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3cf5 h ILE 180 N 0.00 0.00 0.00 0.53 2.10 -1.70 0.24 117.51 118.68 3cf5 h ILE 180 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 3cf5 h ILE 180 Cb 0.00 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 35.73 3cf5 h ILE 180 CO 0.00 0.00 -0.06 0.25 -1.08 0.00 0.00 178.15 177.26 3cf5 h LEU 181 N -0.76 0.00 0.27 2.19 5.85 0.11 -2.77 115.31 120.20 3cf5 h LEU 181 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3cf5 h LEU 181 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3cf5 h LEU 181 CO -0.26 0.06 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.68 3cf5 h ARG 182 N 0.00 -0.35 -6.84 1.25 2.43 0.27 -3.45 114.38 107.69 3cf5 h ARG 182 Ca -0.00 0.02 -0.48 0.00 -0.81 0.00 0.00 59.98 58.72 3cf5 h ARG 182 Cb 0.34 0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3cf5 h ARG 182 CO 0.01 -0.13 0.02 -1.01 -1.51 0.00 0.00 179.97 177.35 3cf5 s HIS 183 N -5.46 3.37 0.00 2.20 3.76 0.57 -5.03 115.29 114.71 3cf5 s HIS 183 Ca -0.15 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 3cf5 s HIS 183 Cb 0.04 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3cf5 s HIS 183 CO 0.61 -0.37 0.81 -0.25 -0.85 0.00 0.00 174.74 174.69 3cf5 n ASP 184 N -2.21 0.00 -4.87 1.40 8.00 0.42 -4.88 116.55 114.41 3cf5 n ASP 184 Ca 0.01 0.81 -0.21 0.00 0.71 0.00 0.00 54.79 56.11 3cf5 n ASP 184 Cb 0.57 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3cf5 n ASP 184 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3cf5 s ARG 185 N -2.25 2.89 -0.17 -1.24 1.81 -0.79 -4.93 118.95 114.29 3cf5 s ARG 185 Ca 0.00 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 3cf5 s ARG 185 Cb 0.00 -2.58 0.04 0.00 -0.45 0.00 0.00 34.95 31.95 3cf5 s ARG 185 CO 0.00 0.20 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.55 3cf5 s LEU 186 N -3.98 1.84 -1.22 2.53 2.96 -1.23 -2.12 118.68 117.47 3cf5 s LEU 186 Ca 0.39 -0.67 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 3cf5 s LEU 186 Cb -0.07 -1.10 0.18 0.00 0.50 0.00 0.00 46.19 45.70 3cf5 s LEU 186 CO 0.27 -0.13 1.55 0.52 -1.32 0.00 0.00 176.35 177.24 3cf5 n VAL 187 N 4.78 4.36 -0.01 1.68 0.31 -0.30 -2.17 118.33 126.98 3cf5 n VAL 187 Ca -0.14 -4.74 0.17 0.00 -0.01 0.00 0.00 64.34 59.62 3cf5 n VAL 187 Cb 0.48 -2.42 0.62 0.00 -0.91 0.00 0.00 33.84 31.61 3cf5 n VAL 187 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3cf5 h ILE 188 N 4.24 0.81 0.00 2.52 2.04 -1.17 -2.06 117.51 123.88 3cf5 h ILE 188 Ca 0.33 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.14 3cf5 h ILE 188 Cb 0.79 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3cf5 h ILE 188 CO 1.35 0.02 0.00 -0.67 0.00 0.00 0.00 178.15 178.85 3cf5 n ASP 189 N -4.43 0.00 -1.03 1.72 -0.08 -1.24 -4.52 116.55 106.97 3cf5 n ASP 189 Ca 0.09 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.24 3cf5 n ASP 189 Cb 0.49 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.92 3cf5 n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cf5 n ALA 190 N 9.78 0.06 -0.21 -1.67 0.00 -1.20 -3.58 120.51 123.69 3cf5 n ALA 190 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.61 3cf5 n ALA 190 Cb 0.00 -0.51 0.47 0.00 0.00 0.00 0.00 19.45 19.41 3cf5 n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 h ALA 191 N 2.34 2.05 0.00 0.00 0.00 -1.82 -3.36 119.26 118.46 3cf5 h ALA 191 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cf5 h ALA 191 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3cf5 h ALA 191 CO 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3cf5 n ALA 192 N -2.49 0.00 -0.43 0.00 0.00 -1.26 0.83 120.51 117.15 3cf5 n ALA 192 Ca 0.16 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.97 3cf5 n ALA 192 Cb 0.55 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.69 3cf5 n ALA 192 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cf5 h LEU 193 N 0.00 0.16 -7.88 0.00 6.46 -1.91 -3.18 115.31 108.96 3cf5 h LEU 193 Ca 0.00 0.06 -0.70 0.00 -0.12 0.00 0.00 57.88 57.12 3cf5 h LEU 193 Cb 0.00 0.04 -0.15 0.00 -0.73 0.00 0.00 40.66 39.82 3cf5 h LEU 193 CO 0.00 -0.04 1.32 -0.70 -0.62 0.00 0.00 178.44 178.40 3cf5 s GLU 194 N -5.15 3.85 0.00 1.25 2.12 0.24 -4.55 118.70 116.47 3cf5 s GLU 194 Ca -0.07 -2.03 0.00 0.00 0.36 0.00 0.00 54.97 53.23 3cf5 s GLU 194 Cb 0.26 -5.12 0.00 0.00 0.26 0.00 0.00 34.13 29.53 3cf5 s GLU 194 CO 0.83 -1.90 0.00 0.44 -0.54 0.00 0.00 175.26 174.09 3cf5 n ILE 195 N 5.46 0.00 0.00 -3.70 -5.35 -1.20 -4.63 119.36 109.95 3cf5 n ILE 195 Ca 0.34 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.82 3cf5 n ILE 195 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3cf5 n ILE 195 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3cf5 n VAL 196 N 0.30 0.00 -3.60 7.28 0.31 -1.26 -4.81 118.33 116.55 3cf5 n VAL 196 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3cf5 n VAL 196 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3cf5 n VAL 196 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3cf5 s GLU 197 N -4.98 0.85 0.00 5.55 2.12 -1.26 -4.90 118.70 116.08 3cf5 s GLU 197 Ca 0.00 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3cf5 s GLU 197 Cb 0.00 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3cf5 s GLU 197 CO 0.00 -0.38 0.00 0.39 -0.54 0.00 0.00 175.26 174.73