#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdf s ASP 1 N 0.00 4.65 0.08 3.42 1.01 -1.26 -4.92 116.67 119.65 3cdf s ASP 1 Ca 0.00 2.58 -0.31 0.00 0.71 0.00 0.00 52.55 55.54 3cdf s ASP 1 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3cdf s ASP 1 CO 0.00 -1.97 1.24 -0.63 0.21 0.00 0.00 175.17 174.02 3cdf s ILE 2 N -1.45 3.86 -0.28 0.77 1.01 -1.26 -5.00 121.20 118.85 3cdf s ILE 2 Ca 0.82 1.34 -0.15 0.00 0.00 0.00 0.00 60.65 62.65 3cdf s ILE 2 Cb -0.36 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3cdf s ILE 2 CO 0.39 0.11 0.40 -1.10 0.00 0.00 0.00 174.94 174.74 3cdf s GLN 3 N 1.04 3.96 -0.24 2.79 -1.52 -1.26 -4.74 119.66 119.69 3cdf s GLN 3 Ca 0.60 0.03 -0.11 0.00 -1.95 0.00 0.00 55.36 53.93 3cdf s GLN 3 Cb -0.31 -3.68 -0.05 0.00 -0.22 0.00 0.00 33.01 28.75 3cdf s GLN 3 CO 0.30 -0.33 0.18 -1.64 -0.25 0.00 0.00 175.29 173.55 3cdf s MET 4 N 2.12 4.08 -0.32 2.91 -1.94 -1.26 -1.49 119.30 123.39 3cdf s MET 4 Ca 0.16 -0.23 -0.03 0.00 -1.71 0.00 0.00 55.69 53.88 3cdf s MET 4 Cb -0.16 -3.54 0.05 0.00 2.01 0.00 0.00 34.83 33.19 3cdf s MET 4 CO 0.10 0.04 0.03 0.99 -0.01 0.00 0.00 175.02 176.18 3cdf s THR 5 N 1.10 3.14 -0.11 2.05 2.01 0.55 -4.48 115.64 119.91 3cdf s THR 5 Ca 0.08 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 3cdf s THR 5 Cb -0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3cdf s THR 5 CO 0.05 -0.17 0.06 -1.58 -0.69 0.00 0.00 174.62 172.29 3cdf s GLN 6 N 1.27 3.23 0.02 4.92 0.74 -1.26 -1.25 119.66 127.32 3cdf s GLN 6 Ca -0.03 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.08 3cdf s GLN 6 Cb -0.20 -2.97 -0.01 0.00 1.10 0.00 0.00 33.01 30.93 3cdf s GLN 6 CO -0.01 0.70 -0.03 -1.12 -0.55 0.00 0.00 175.29 174.28 3cdf s SER 7 N -0.84 0.35 0.88 6.67 0.01 -0.13 -4.65 113.70 115.98 3cdf s SER 7 Ca 0.13 -0.32 -0.09 0.00 1.31 0.00 0.00 55.95 56.98 3cdf s SER 7 Cb -0.12 0.04 0.18 0.00 0.21 0.00 0.00 66.02 66.33 3cdf s SER 7 CO 0.03 -0.15 1.13 -0.81 0.41 0.00 0.00 173.24 173.85 3cdf n PRO 8 N 2.15 -0.72 0.02 12.44 -0.04 -1.26 -0.81 135.00 146.77 3cdf n PRO 8 Ca -0.19 -2.25 -0.19 0.00 -0.04 0.00 0.00 63.50 60.83 3cdf n PRO 8 Cb 0.57 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.93 3cdf n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cdf h SER 9 N -1.18 0.92 -5.03 3.54 0.02 -1.83 -3.37 113.55 106.62 3cdf h SER 9 Ca -0.37 -0.69 -0.06 0.00 -0.84 0.00 0.00 61.79 59.83 3cdf h SER 9 Cb 1.15 -0.28 -0.16 0.00 0.14 0.00 0.00 62.40 63.25 3cdf h SER 9 CO 0.31 1.49 0.02 -0.94 -1.14 0.00 0.00 176.83 176.57 3cdf s SER 10 N -7.23 -0.40 0.07 3.07 1.04 -1.26 -1.64 113.70 107.35 3cdf s SER 10 Ca -0.10 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 3cdf s SER 10 Cb 0.08 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3cdf s SER 10 CO 0.92 -0.74 0.36 -1.48 0.98 0.00 0.00 173.24 173.28 3cdf s LEU 11 N -2.10 0.62 -0.03 2.42 0.05 -0.60 -4.92 118.68 114.11 3cdf s LEU 11 Ca -0.04 -0.20 0.06 0.00 0.05 0.00 0.00 54.13 53.99 3cdf s LEU 11 Cb -0.00 1.61 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 3cdf s LEU 11 CO -0.03 -0.71 -0.20 -0.44 -0.55 0.00 0.00 176.35 174.41 3cdf s SER 12 N -2.34 3.53 0.31 1.48 0.01 -1.26 -1.28 113.70 114.15 3cdf s SER 12 Ca -0.02 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.83 3cdf s SER 12 Cb 0.01 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3cdf s SER 12 CO -0.06 0.33 0.50 0.00 0.41 0.00 0.00 173.24 174.42 3cdf s ALA 13 N -0.67 0.29 0.18 1.44 0.00 -0.57 -4.77 121.76 117.66 3cdf s ALA 13 Ca 0.11 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3cdf s ALA 13 Cb -0.10 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 3cdf s ALA 13 CO -0.00 -0.83 0.12 -1.12 0.00 0.00 0.00 175.76 173.93 3cdf s SER 14 N -3.14 5.38 0.23 0.00 0.01 -1.26 0.63 113.70 115.55 3cdf s SER 14 Ca 0.27 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 3cdf s SER 14 Cb -0.01 -1.36 -0.14 0.00 0.21 0.00 0.00 66.02 64.73 3cdf s SER 14 CO 0.15 0.05 1.38 0.52 0.41 0.00 0.00 173.24 175.75 3cdf n VAL 15 N -0.47 0.96 0.00 3.43 0.31 -1.26 -0.95 118.33 120.34 3cdf n VAL 15 Ca -0.08 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3cdf n VAL 15 Cb 0.55 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3cdf n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cdf n GLY 16 N 2.12 2.27 3.80 2.92 0.00 0.85 -4.88 105.19 112.27 3cdf n GLY 16 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3cdf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cdf s ASP 17 N -1.67 6.06 0.03 1.61 1.01 -0.13 -4.29 116.67 119.30 3cdf s ASP 17 Ca 0.00 1.86 -0.28 0.00 0.71 0.00 0.00 52.55 54.84 3cdf s ASP 17 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 3cdf s ASP 17 CO 0.00 -0.97 0.88 -0.60 0.21 0.00 0.00 175.17 174.69 3cdf s ARG 18 N -3.70 4.56 -0.11 8.23 3.52 -1.24 -0.38 118.95 129.83 3cdf s ARG 18 Ca 0.65 1.27 0.01 0.00 -0.13 0.00 0.00 55.73 57.53 3cdf s ARG 18 Cb -0.16 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3cdf s ARG 18 CO 0.29 0.11 -0.14 0.08 -0.81 0.00 0.00 175.30 174.83 3cdf s VAL 19 N 0.48 2.97 -0.08 7.11 1.01 0.00 -4.99 120.40 126.90 3cdf s VAL 19 Ca 0.45 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 3cdf s VAL 19 Cb -0.21 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3cdf s VAL 19 CO 0.26 0.54 -0.04 -0.89 0.00 0.00 0.00 175.10 174.96 3cdf s THR 20 N 0.16 0.69 -0.01 3.92 2.01 -1.26 -0.89 115.64 120.26 3cdf s THR 20 Ca -0.08 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.88 3cdf s THR 20 Cb -0.15 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 3cdf s THR 20 CO 0.05 0.30 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.43 3cdf s ILE 21 N 1.60 1.74 0.25 1.82 1.01 0.23 -4.76 121.20 123.10 3cdf s ILE 21 Ca 0.01 -0.97 0.11 0.00 0.00 0.00 0.00 60.65 59.80 3cdf s ILE 21 Cb -0.13 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3cdf s ILE 21 CO -0.05 0.47 -0.20 0.42 0.00 0.00 0.00 174.94 175.58 3cdf s THR 22 N -0.54 2.36 -0.08 2.92 -4.23 0.01 -0.41 115.64 115.66 3cdf s THR 22 Ca 0.08 -2.31 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 3cdf s THR 22 Cb -0.09 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3cdf s THR 22 CO -0.01 -0.37 0.17 0.00 -0.54 0.00 0.00 174.62 173.87 3cdf s GLN 24 N 1.91 2.59 0.02 0.00 0.74 -0.38 -1.06 119.66 123.47 3cdf s GLN 24 Ca -0.01 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.74 3cdf s GLN 24 Cb -0.12 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.49 3cdf s GLN 24 CO -0.06 0.64 0.13 0.00 -0.55 0.00 0.00 175.29 175.44 3cdf s ALA 25 N -0.78 3.75 -1.28 1.58 0.00 -0.15 -0.33 121.76 124.55 3cdf s ALA 25 Ca 0.12 -0.86 0.21 0.00 0.00 0.00 0.00 51.96 51.44 3cdf s ALA 25 Cb -0.11 -1.68 1.02 0.00 0.00 0.00 0.00 23.12 22.35 3cdf s ALA 25 CO 0.01 0.74 1.68 -1.13 0.00 0.00 0.00 175.76 177.06 3cdf n SER 26 N 0.87 0.00 -3.86 0.00 3.41 -0.56 -4.77 113.62 108.71 3cdf n SER 26 Ca -0.11 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 3cdf n SER 26 Cb 0.52 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3cdf n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cdf s GLN 27 N -2.72 1.48 -0.00 4.33 -2.07 -1.26 -4.97 119.66 114.45 3cdf s GLN 27 Ca 0.17 -1.04 -0.30 0.00 -1.82 0.00 0.00 55.36 52.37 3cdf s GLN 27 Cb 0.14 0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 32.50 3cdf s GLN 27 CO 0.35 -0.63 1.68 0.34 -1.32 0.00 0.00 175.29 175.71 3cdf s ASP 28 N -2.94 6.63 -0.16 12.60 -1.08 -1.26 -4.69 116.67 125.77 3cdf s ASP 28 Ca 0.15 2.37 0.18 0.00 -0.52 0.00 0.00 52.55 54.72 3cdf s ASP 28 Cb -0.01 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.33 3cdf s ASP 28 CO 0.03 -0.92 1.31 2.30 0.52 0.00 0.00 175.17 178.41 3cdf n ILE 29 N 5.21 2.12 0.00 4.11 -5.35 -0.35 -5.00 119.36 120.10 3cdf n ILE 29 Ca 0.17 -2.05 0.00 0.00 -0.27 0.00 0.00 62.75 60.60 3cdf n ILE 29 Cb 0.42 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 3cdf n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3cdf n SER 30 N -0.91 0.00 -0.39 7.28 2.88 -1.25 -1.55 113.62 119.68 3cdf n SER 30 Ca 0.19 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.82 3cdf n SER 30 Cb 0.79 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.43 3cdf n SER 30 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3cdf n ASN 31 N 7.84 2.93 -3.57 -3.46 2.04 -1.26 0.68 115.26 120.46 3cdf n ASN 31 Ca 0.00 -2.99 -0.40 0.00 -0.44 0.00 0.00 54.58 50.75 3cdf n ASN 31 Cb 0.00 -0.45 -0.02 0.00 -2.53 0.00 0.00 39.78 36.78 3cdf n ASN 31 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 3cdf n TYR 32 N -1.00 2.60 -4.40 -2.53 4.01 -0.59 -2.11 117.16 113.14 3cdf n TYR 32 Ca 0.17 -2.50 -0.22 0.00 -0.16 0.00 0.00 57.90 55.19 3cdf n TYR 32 Cb 0.71 -2.18 -0.16 0.00 -0.31 0.00 0.00 39.34 37.41 3cdf n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3cdf s LEU 33 N 1.35 1.57 0.12 7.72 2.96 -1.26 -1.40 118.68 129.74 3cdf s LEU 33 Ca 0.53 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 3cdf s LEU 33 Cb 0.14 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 3cdf s LEU 33 CO -0.01 0.01 0.03 0.20 -1.32 0.00 0.00 176.35 175.26 3cdf s ASN 34 N 0.63 5.08 -0.10 3.68 0.01 0.31 -0.97 114.94 123.59 3cdf s ASN 34 Ca -0.11 -0.20 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 3cdf s ASN 34 Cb -0.14 -1.22 0.01 0.00 0.41 0.00 0.00 41.25 40.31 3cdf s ASN 34 CO 0.02 0.14 -0.18 0.26 -1.51 0.00 0.00 177.10 175.82 3cdf s TRP 35 N -1.47 2.16 0.22 2.20 0.52 0.39 -0.61 118.94 122.35 3cdf s TRP 35 Ca 0.27 -0.94 0.09 0.00 0.02 0.00 0.00 56.10 55.54 3cdf s TRP 35 Cb -0.11 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 3cdf s TRP 35 CO 0.19 -0.43 -0.04 0.71 0.02 0.00 0.00 176.95 177.40 3cdf s TYR 36 N 0.68 2.69 -0.12 -1.98 2.02 0.69 -1.06 117.35 120.26 3cdf s TYR 36 Ca -0.12 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 3cdf s TYR 36 Cb -0.16 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3cdf s TYR 36 CO 0.03 0.57 -0.20 -1.14 -1.57 0.00 0.00 175.55 173.23 3cdf s GLN 37 N -3.24 2.79 -0.06 -0.62 0.74 0.36 -1.64 119.66 117.99 3cdf s GLN 37 Ca 0.28 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.96 3cdf s GLN 37 Cb -0.08 -2.25 -0.00 0.00 1.10 0.00 0.00 33.01 31.78 3cdf s GLN 37 CO 0.18 0.01 -0.20 -1.14 -0.55 0.00 0.00 175.29 173.59 3cdf s GLN 38 N 0.77 2.14 0.10 1.67 0.74 0.10 -0.85 119.66 124.33 3cdf s GLN 38 Ca -0.09 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 54.71 3cdf s GLN 38 Cb -0.16 -1.79 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 3cdf s GLN 38 CO 0.00 0.25 -0.23 0.15 -0.55 0.00 0.00 175.29 174.91 3cdf s LYS 39 N 0.08 1.70 0.04 1.67 1.02 -1.26 -1.17 119.74 121.82 3cdf s LYS 39 Ca -0.07 -1.19 -0.36 0.00 0.02 0.00 0.00 55.97 54.36 3cdf s LYS 39 Cb -0.13 -2.02 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 3cdf s LYS 39 CO 0.04 0.49 1.48 -2.30 -0.92 0.00 0.00 175.35 174.14 3cdf n PRO 40 N 1.14 1.43 -0.98 -1.68 -0.02 -1.26 -1.24 135.00 132.39 3cdf n PRO 40 Ca -0.17 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3cdf n PRO 40 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3cdf n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cdf n GLY 41 N 3.07 0.95 3.48 -1.23 0.00 -1.26 -5.01 105.19 105.19 3cdf n GLY 41 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3cdf n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cdf s LYS 42 N -0.02 1.71 0.17 1.61 -0.14 -0.38 -5.10 119.74 117.60 3cdf s LYS 42 Ca 0.00 -1.51 -0.32 0.00 -1.36 0.00 0.00 55.97 52.78 3cdf s LYS 42 Cb 0.00 -1.92 -0.11 0.00 -1.68 0.00 0.00 37.83 34.13 3cdf s LYS 42 CO 0.00 0.39 1.67 0.00 -0.76 0.00 0.00 175.35 176.65 3cdf s ALA 43 N -1.89 3.83 0.35 5.17 0.00 -1.26 -4.56 121.76 123.41 3cdf s ALA 43 Ca 0.24 1.45 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 3cdf s ALA 43 Cb -0.07 -3.68 -0.12 0.00 0.00 0.00 0.00 23.12 19.25 3cdf s ALA 43 CO 0.13 -0.92 1.11 -2.30 0.00 0.00 0.00 175.76 173.77 3cdf n PRO 44 N 4.34 1.61 -4.98 0.00 -0.02 -1.26 -4.73 135.00 129.96 3cdf n PRO 44 Ca 0.15 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 3cdf n PRO 44 Cb 0.37 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 3cdf n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3cdf s LYS 45 N -1.83 2.37 -0.25 -0.52 2.20 -0.03 -4.91 119.74 116.78 3cdf s LYS 45 Ca 0.59 -0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 55.21 3cdf s LYS 45 Cb -0.61 -1.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 3cdf s LYS 45 CO 0.60 0.18 1.38 -1.17 -0.36 0.00 0.00 175.35 175.97 3cdf s LEU 46 N 0.30 3.95 -0.19 5.43 0.20 -1.26 -0.49 118.68 126.63 3cdf s LEU 46 Ca -0.13 1.42 -0.07 0.00 0.69 0.00 0.00 54.13 56.04 3cdf s LEU 46 Cb -0.16 -3.54 -0.21 0.00 -0.43 0.00 0.00 46.19 41.86 3cdf s LEU 46 CO 0.06 -1.06 0.10 0.18 -0.29 0.00 0.00 176.35 175.34 3cdf n LEU 47 N 7.62 2.56 -4.07 -0.68 4.77 -0.22 -4.71 117.00 122.27 3cdf n LEU 47 Ca 0.16 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 3cdf n LEU 47 Cb 0.46 -1.01 -0.16 0.00 -2.33 0.00 0.00 43.42 40.38 3cdf n LEU 47 CO 0.62 0.77 -0.47 -0.63 -1.33 0.00 0.00 177.39 176.35 3cdf s ILE 48 N -2.52 1.11 0.23 -0.08 1.01 -1.11 -1.28 121.20 118.57 3cdf s ILE 48 Ca -0.29 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3cdf s ILE 48 Cb 0.08 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 3cdf s ILE 48 CO 0.67 0.33 0.02 -0.72 0.00 0.00 0.00 174.94 175.24 3cdf s TYR 49 N 0.11 1.48 -1.41 3.97 1.13 -0.40 -0.46 117.35 121.77 3cdf s TYR 49 Ca -0.03 -1.01 -0.11 0.00 -1.41 0.00 0.00 57.07 54.51 3cdf s TYR 49 Cb -0.10 -0.86 0.08 0.00 -1.10 0.00 0.00 41.96 39.98 3cdf s TYR 49 CO 0.01 -0.15 0.63 -3.47 -2.51 0.00 0.00 175.55 170.06 3cdf n ASP 50 N -0.39 -3.99 0.00 -0.18 2.03 -1.10 -0.69 116.55 112.23 3cdf n ASP 50 Ca -0.04 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.72 3cdf n ASP 50 Cb 0.64 -3.27 0.00 0.00 -0.72 0.00 0.00 41.12 37.78 3cdf n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cdf n ALA 51 N -3.85 0.00 -0.99 -1.67 0.00 -0.14 -4.24 120.51 109.62 3cdf n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cdf n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3cdf n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cdf n SER 52 N 0.74 0.01 -4.86 0.00 3.41 -1.06 -3.06 113.62 108.81 3cdf n SER 52 Ca 0.00 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.25 3cdf n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3cdf n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3cdf s ASN 53 N -0.00 6.71 -0.12 4.04 0.01 0.14 -4.58 114.94 121.13 3cdf s ASN 53 Ca 0.00 0.88 -0.06 0.00 -0.71 0.00 0.00 52.86 52.97 3cdf s ASN 53 Cb 0.00 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 3cdf s ASN 53 CO 0.00 0.19 0.10 -0.76 -1.51 0.00 0.00 177.10 175.12 3cdf s LEU 54 N -1.74 4.15 0.92 0.60 1.02 -1.26 -1.27 118.68 121.10 3cdf s LEU 54 Ca 0.32 0.35 -0.15 0.00 0.02 0.00 0.00 54.13 54.67 3cdf s LEU 54 Cb -0.15 -2.01 0.17 0.00 0.02 0.00 0.00 46.19 44.22 3cdf s LEU 54 CO 0.17 0.37 1.27 -1.61 0.02 0.00 0.00 176.35 176.58 3cdf s GLU 55 N -0.82 0.99 0.17 1.70 0.41 -0.40 -4.96 118.70 115.80 3cdf s GLU 55 Ca 0.13 -0.24 -0.31 0.00 -0.41 0.00 0.00 54.97 54.15 3cdf s GLU 55 Cb -0.12 -1.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.27 3cdf s GLU 55 CO 0.03 -2.20 1.49 0.99 -0.49 0.00 0.00 175.26 175.08 3cdf s THR 56 N -3.77 2.80 0.00 3.63 2.01 -1.26 -1.87 115.64 117.18 3cdf s THR 56 Ca 0.70 0.59 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3cdf s THR 56 Cb -0.06 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3cdf s THR 56 CO 0.52 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3cdf n GLY 57 N 3.31 1.39 3.67 4.40 0.00 -1.26 -4.99 105.19 111.71 3cdf n GLY 57 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3cdf n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cdf s VAL 58 N -3.72 4.19 0.71 1.61 1.01 -0.78 -4.98 120.40 118.44 3cdf s VAL 58 Ca 0.00 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 3cdf s VAL 58 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3cdf s VAL 58 CO 0.00 -0.08 1.17 -2.84 0.00 0.00 0.00 175.10 173.34 3cdf s PRO 59 N 3.07 2.37 0.30 2.72 0.02 -1.26 -4.91 135.00 137.31 3cdf s PRO 59 Ca 0.57 1.61 0.23 0.00 0.02 0.00 0.00 61.00 63.44 3cdf s PRO 59 Cb -0.24 -1.88 1.11 0.00 0.02 0.00 0.00 34.50 33.51 3cdf s PRO 59 CO 0.19 -1.63 1.71 -1.13 -0.33 0.00 0.00 177.00 175.81 3cdf n SER 60 N -2.63 0.65 0.18 2.53 3.41 -1.26 -1.70 113.62 114.81 3cdf n SER 60 Ca 0.12 0.72 0.14 0.00 -0.26 0.00 0.00 58.87 59.59 3cdf n SER 60 Cb 0.51 -0.84 0.61 0.00 -0.26 0.00 0.00 64.21 64.23 3cdf n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3cdf h ARG 61 N 0.00 0.00 -5.95 4.33 0.11 -1.94 -3.42 114.38 107.50 3cdf h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3cdf h ARG 61 Cb 0.20 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.22 3cdf h ARG 61 CO 0.00 0.00 -0.15 -0.06 0.10 0.00 0.00 179.97 179.86 3cdf s PHE 62 N -3.51 3.67 0.10 4.08 0.08 -0.69 -0.47 117.98 121.24 3cdf s PHE 62 Ca 0.01 1.00 -0.08 0.00 0.12 0.00 0.00 56.93 57.99 3cdf s PHE 62 Cb 0.09 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 3cdf s PHE 62 CO 0.38 0.47 0.19 -1.54 -0.10 0.00 0.00 175.22 174.62 3cdf s SER 63 N -0.49 0.14 0.07 1.36 1.04 -0.19 -4.99 113.70 110.64 3cdf s SER 63 Ca 0.25 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 56.01 3cdf s SER 63 Cb -0.17 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 3cdf s SER 63 CO 0.13 -0.74 -0.09 -0.83 0.98 0.00 0.00 173.24 172.69 3cdf s GLY 64 N -2.88 0.68 0.19 7.32 0.00 -1.26 -0.96 107.32 110.41 3cdf s GLY 64 Ca 0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 3cdf s GLY 64 CO -0.10 -1.02 0.30 -1.35 0.00 0.00 0.00 173.10 170.93 3cdf s SER 65 N -1.96 0.04 0.00 1.64 1.04 -0.14 -4.26 113.70 110.06 3cdf s SER 65 Ca -0.03 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3cdf s SER 65 Cb -0.07 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3cdf s SER 65 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3cdf n GLY 66 N -0.26 3.25 3.34 7.32 0.00 -1.26 -0.95 105.19 116.64 3cdf n GLY 66 Ca -0.05 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3cdf n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cdf s SER 67 N 0.00 -0.33 0.00 1.61 0.15 -1.19 -4.83 113.70 109.11 3cdf s SER 67 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 3cdf s SER 67 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3cdf s SER 67 CO 0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.36 3cdf n GLY 68 N 0.45 1.98 0.00 9.45 0.00 0.22 -3.60 105.19 113.69 3cdf n GLY 68 Ca -0.18 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.68 3cdf n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cdf n THR 69 N 0.00 0.00 -4.85 2.61 -2.24 -1.26 -1.22 114.28 107.32 3cdf n THR 69 Ca 0.00 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3cdf n THR 69 Cb 0.00 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 3cdf n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cdf s ASP 70 N -1.94 2.22 0.03 3.42 1.01 -1.24 -0.98 116.67 119.20 3cdf s ASP 70 Ca -0.00 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 3cdf s ASP 70 Cb 0.02 -0.74 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 3cdf s ASP 70 CO 0.13 0.14 -0.01 -0.36 0.21 0.00 0.00 175.17 175.27 3cdf s PHE 71 N 0.18 0.29 -0.01 4.23 0.08 -0.23 -3.16 117.98 119.35 3cdf s PHE 71 Ca -0.07 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 56.40 3cdf s PHE 71 Cb -0.13 -0.21 -0.00 0.00 -0.57 0.00 0.00 43.02 42.10 3cdf s PHE 71 CO 0.03 -0.24 -0.07 0.99 -0.10 0.00 0.00 175.22 175.83 3cdf s THR 72 N -1.97 0.59 -0.11 0.64 2.01 -0.13 -1.28 115.64 115.38 3cdf s THR 72 Ca -0.11 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3cdf s THR 72 Cb -0.06 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 3cdf s THR 72 CO -0.03 0.18 -0.19 0.12 -0.69 0.00 0.00 174.62 174.02 3cdf s PHE 73 N 0.03 2.68 -0.03 4.92 5.36 0.45 -0.97 117.98 130.43 3cdf s PHE 73 Ca -0.00 -0.83 0.03 0.00 -0.96 0.00 0.00 56.93 55.16 3cdf s PHE 73 Cb -0.05 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 3cdf s PHE 73 CO -0.00 -0.30 -0.09 0.99 -1.46 0.00 0.00 175.22 174.35 3cdf s THR 74 N 0.31 0.82 -0.30 0.12 2.01 -0.13 -0.60 115.64 117.87 3cdf s THR 74 Ca -0.14 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 3cdf s THR 74 Cb -0.17 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.62 3cdf s THR 74 CO 0.07 0.25 0.11 -0.63 -0.69 0.00 0.00 174.62 173.73 3cdf s ILE 75 N 0.16 4.20 0.25 1.82 1.01 -0.07 -1.02 121.20 127.55 3cdf s ILE 75 Ca -0.03 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3cdf s ILE 75 Cb -0.08 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3cdf s ILE 75 CO 0.00 0.07 1.59 0.77 0.00 0.00 0.00 174.94 177.37 3cdf h SER 76 N 8.28 0.18 -2.09 3.58 4.64 -1.06 0.04 113.55 127.11 3cdf h SER 76 Ca -0.31 -0.10 -0.33 0.00 -0.47 0.00 0.00 61.79 60.57 3cdf h SER 76 Cb 1.13 -0.05 -0.33 0.00 -0.31 0.00 0.00 62.40 62.85 3cdf h SER 76 CO 0.61 0.73 -0.64 -0.55 -0.87 0.00 0.00 176.83 176.11 3cdf s SER 77 N -6.88 1.52 0.16 4.97 0.15 -1.25 -3.65 113.70 108.72 3cdf s SER 77 Ca -0.03 -0.92 -0.33 0.00 0.70 0.00 0.00 55.95 55.37 3cdf s SER 77 Cb 0.12 0.54 -0.13 0.00 -1.71 0.00 0.00 66.02 64.85 3cdf s SER 77 CO 0.78 -0.36 1.67 -0.11 1.20 0.00 0.00 173.24 176.42 3cdf n LEU 78 N 5.09 3.49 -4.63 3.45 7.94 0.49 -4.60 117.00 128.23 3cdf n LEU 78 Ca 0.01 1.06 -0.26 0.00 -1.11 0.00 0.00 56.01 55.71 3cdf n LEU 78 Cb 0.46 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 3cdf n LEU 78 CO 0.02 -0.08 -0.35 -1.10 -1.11 0.00 0.00 177.39 174.77 3cdf s GLN 79 N 1.35 2.28 0.27 1.96 -1.52 -1.26 -0.10 119.66 122.63 3cdf s GLN 79 Ca 0.79 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 3cdf s GLN 79 Cb -0.61 -2.25 0.59 0.00 -0.22 0.00 0.00 33.01 30.52 3cdf s GLN 79 CO 0.37 0.42 1.73 -1.35 -0.25 0.00 0.00 175.29 176.21 3cdf h PRO 80 N 2.54 0.49 0.00 2.91 0.11 -1.99 0.07 132.00 136.13 3cdf h PRO 80 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cdf h PRO 80 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3cdf h PRO 80 CO 0.57 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 177.84 3cdf n GLU 81 N -4.96 0.19 0.00 1.05 0.00 -1.26 -2.32 120.64 113.34 3cdf n GLU 81 Ca 0.18 0.15 0.12 0.00 0.00 0.00 0.00 57.16 57.61 3cdf n GLU 81 Cb 0.51 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.72 3cdf n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cdf n ASP 82 N -1.23 0.87 -4.66 -1.84 8.00 0.01 -4.86 116.55 112.84 3cdf n ASP 82 Ca 0.06 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 3cdf n ASP 82 Cb 0.07 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3cdf n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cdf s ILE 83 N -2.74 2.98 -0.07 0.53 -1.09 -0.98 -4.86 121.20 114.96 3cdf s ILE 83 Ca 0.17 0.04 -0.32 0.00 -2.23 0.00 0.00 60.65 58.32 3cdf s ILE 83 Cb 0.18 -3.03 0.13 0.00 -1.58 0.00 0.00 42.46 38.16 3cdf s ILE 83 CO 0.62 -0.00 1.39 0.00 -1.23 0.00 0.00 174.94 175.72 3cdf s ALA 84 N 4.29 -2.53 -0.14 9.38 0.00 -1.25 -4.91 121.76 126.59 3cdf s ALA 84 Ca 0.87 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 3cdf s ALA 84 Cb -0.43 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3cdf s ALA 84 CO 0.41 -1.10 0.06 0.99 0.00 0.00 0.00 175.76 176.12 3cdf s THR 85 N -2.08 4.76 -0.06 0.00 2.01 -0.31 -1.10 115.64 118.85 3cdf s THR 85 Ca 0.20 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3cdf s THR 85 Cb 0.05 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3cdf s THR 85 CO -0.05 0.53 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.00 3cdf s TYR 86 N -0.26 2.82 -0.04 4.92 1.51 -0.04 0.01 117.35 126.28 3cdf s TYR 86 Ca 0.08 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3cdf s TYR 86 Cb -0.12 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 3cdf s TYR 86 CO 0.02 0.24 -0.15 -1.01 -1.11 0.00 0.00 175.55 173.54 3cdf s HIS 87 N -0.72 1.47 0.35 2.71 3.76 -0.65 -0.37 115.29 121.83 3cdf s HIS 87 Ca 0.11 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 3cdf s HIS 87 Cb -0.11 -1.01 -0.07 0.00 1.11 0.00 0.00 32.58 32.50 3cdf s HIS 87 CO 0.01 -0.15 0.70 0.00 -0.85 0.00 0.00 174.74 174.46 3cdf s GLN 89 N -3.45 0.10 0.22 0.00 0.74 0.22 0.12 119.66 117.61 3cdf s GLN 89 Ca 0.51 0.49 -0.22 0.00 0.05 0.00 0.00 55.36 56.19 3cdf s GLN 89 Cb -0.10 -0.18 -0.08 0.00 1.10 0.00 0.00 33.01 33.74 3cdf s GLN 89 CO 0.26 -0.21 0.76 1.14 -0.55 0.00 0.00 175.29 176.69 3cdf s GLN 90 N 1.60 4.36 -0.27 1.67 1.03 -0.59 -0.53 119.66 126.93 3cdf s GLN 90 Ca -0.05 0.98 0.17 0.00 0.04 0.00 0.00 55.36 56.51 3cdf s GLN 90 Cb -0.12 -2.96 0.49 0.00 0.03 0.00 0.00 33.01 30.45 3cdf s GLN 90 CO -0.07 0.43 1.14 2.48 -2.54 0.00 0.00 175.29 176.72 3cdf n TYR 91 N 0.92 1.80 -0.08 9.60 4.11 -0.49 -3.14 117.16 129.87 3cdf n TYR 91 Ca -0.03 -2.19 -0.17 0.00 -0.00 0.00 0.00 57.90 55.52 3cdf n TYR 91 Cb 0.50 -0.27 -0.12 0.00 -0.00 0.00 0.00 39.34 39.45 3cdf n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3cdf h ASP 92 N 2.46 0.00 -3.42 9.48 3.58 -1.85 -3.48 116.42 123.19 3cdf h ASP 92 Ca 0.04 -0.80 -0.48 0.00 0.42 0.00 0.00 57.03 56.22 3cdf h ASP 92 Cb 1.36 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 42.07 3cdf h ASP 92 CO 0.39 1.19 -0.80 0.20 -2.88 0.00 0.00 179.24 177.34 3cdf s ASN 93 N -6.46 1.51 0.38 2.28 -0.87 -1.26 -5.10 114.94 105.42 3cdf s ASN 93 Ca -0.23 -0.24 -0.26 0.00 -1.57 0.00 0.00 52.86 50.56 3cdf s ASN 93 Cb 0.01 -0.70 -0.09 0.00 -0.02 0.00 0.00 41.25 40.45 3cdf s ASN 93 CO 0.65 -0.00 1.24 -0.76 -2.57 0.00 0.00 177.10 175.66 3cdf s LEU 94 N 0.78 4.27 0.24 0.60 1.43 -1.26 -3.61 118.68 121.13 3cdf s LEU 94 Ca -0.13 2.52 -0.30 0.00 -1.03 0.00 0.00 54.13 55.20 3cdf s LEU 94 Cb -0.15 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.10 3cdf s LEU 94 CO 0.02 -0.68 1.15 -2.16 0.23 0.00 0.00 176.35 174.91 3cdf s PRO 95 N -2.12 4.57 -1.02 1.29 0.04 -1.26 -4.97 135.00 131.53 3cdf s PRO 95 Ca 0.55 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 3cdf s PRO 95 Cb -0.35 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 3cdf s PRO 95 CO 0.45 0.07 1.92 0.71 0.04 0.00 0.00 177.00 180.20 3cdf s TYR 96 N -0.71 1.91 0.49 0.56 2.02 -1.24 -4.72 117.35 115.66 3cdf s TYR 96 Ca 0.48 0.47 -0.16 0.00 -0.37 0.00 0.00 57.07 57.49 3cdf s TYR 96 Cb -0.32 -4.06 -0.08 0.00 -0.40 0.00 0.00 41.96 37.09 3cdf s TYR 96 CO 0.40 -1.55 0.96 0.95 -1.57 0.00 0.00 175.55 174.74 3cdf s THR 97 N 10.15 4.54 0.12 -0.71 -4.23 -1.19 -4.71 115.64 119.61 3cdf s THR 97 Ca 0.68 1.19 0.04 0.00 -1.18 0.00 0.00 61.69 62.42 3cdf s THR 97 Cb -0.04 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 3cdf s THR 97 CO 0.04 -0.63 0.11 -0.36 -0.54 0.00 0.00 174.62 173.24 3cdf s PHE 98 N -2.55 3.18 1.11 3.99 0.08 -1.26 -1.53 117.98 120.99 3cdf s PHE 98 Ca 0.58 0.04 -0.16 0.00 0.12 0.00 0.00 56.93 57.51 3cdf s PHE 98 Cb -0.10 -1.57 0.24 0.00 -0.57 0.00 0.00 43.02 41.02 3cdf s PHE 98 CO 0.29 0.52 1.10 0.20 -0.10 0.00 0.00 175.22 177.23 3cdf s GLY 99 N -2.72 1.57 0.08 4.36 0.00 0.12 -4.58 107.32 106.14 3cdf s GLY 99 Ca 0.30 -0.66 0.25 0.00 0.00 0.00 0.00 44.72 44.61 3cdf s GLY 99 CO 0.23 0.10 1.79 -1.06 0.00 0.00 0.00 173.10 174.15 3cdf n GLN 100 N -4.52 0.08 0.00 2.90 3.00 -1.26 -4.71 117.38 112.87 3cdf n GLN 100 Ca 0.09 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3cdf n GLN 100 Cb 0.58 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.21 3cdf n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cdf n GLY 101 N 1.05 0.65 2.93 1.08 0.00 -1.26 -5.03 105.19 104.61 3cdf n GLY 101 Ca 0.06 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 3cdf n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cdf s THR 102 N -2.71 1.18 -0.24 2.61 2.01 0.50 -4.49 115.64 114.50 3cdf s THR 102 Ca 0.00 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 3cdf s THR 102 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 3cdf s THR 102 CO 0.00 0.33 0.59 -0.75 -0.69 0.00 0.00 174.62 174.10 3cdf s LYS 103 N 1.64 4.13 0.02 4.92 2.20 -0.65 -0.86 119.74 131.13 3cdf s LYS 103 Ca 0.04 0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 55.99 3cdf s LYS 103 Cb -0.13 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 3cdf s LYS 103 CO -0.09 -0.34 0.45 -0.51 -0.36 0.00 0.00 175.35 174.50 3cdf s LEU 104 N 2.26 4.49 0.06 5.43 1.43 -0.26 -1.56 118.68 130.53 3cdf s LEU 104 Ca 0.25 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 3cdf s LEU 104 Cb -0.16 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3cdf s LEU 104 CO 0.09 0.31 -0.06 -1.61 0.23 0.00 0.00 176.35 175.32 3cdf s GLU 105 N -1.08 0.62 0.08 1.70 2.02 -0.40 -3.89 118.70 117.74 3cdf s GLU 105 Ca 0.25 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 3cdf s GLU 105 Cb -0.17 -0.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.92 3cdf s GLU 105 CO 0.15 -0.02 0.96 0.42 0.02 0.00 0.00 175.26 176.79 3cdf s ILE 106 N -2.71 4.59 -1.65 -1.63 -1.09 -1.26 -1.51 121.20 115.94 3cdf s ILE 106 Ca 0.00 2.06 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 3cdf s ILE 106 Cb -0.01 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3cdf s ILE 106 CO -0.04 0.28 0.41 1.17 -1.23 0.00 0.00 174.94 175.53