#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 5.14 0.01 3.42 1.01 -1.26 -4.92 116.67 120.06 3cdf s ASP 1 Ca 0.00 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 55.62 3cdf s ASP 1 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3cdf s ASP 1 CO 0.00 -1.65 1.31 -0.63 0.21 0.00 0.00 175.17 174.41 3cdf s ILE 2 N -1.37 3.88 -0.21 0.77 1.01 -1.26 -4.99 121.20 119.03 3cdf s ILE 2 Ca 0.75 1.28 -0.17 0.00 0.00 0.00 0.00 60.65 62.51 3cdf s ILE 2 Cb -0.38 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3cdf s ILE 2 CO 0.43 0.02 0.44 -1.10 0.00 0.00 0.00 174.94 174.74 3cdf s GLN 3 N 2.00 4.15 -0.24 2.79 -1.52 -1.26 -4.74 119.66 120.85 3cdf s GLN 3 Ca 0.61 0.26 -0.10 0.00 -1.95 0.00 0.00 55.36 54.18 3cdf s GLN 3 Cb -0.30 -3.57 -0.05 0.00 -0.22 0.00 0.00 33.01 28.88 3cdf s GLN 3 CO 0.26 -0.13 0.13 -1.64 -0.25 0.00 0.00 175.29 173.67 3cdf s MET 4 N 1.58 3.98 -0.34 2.91 -1.94 -1.26 -1.12 119.30 123.11 3cdf s MET 4 Ca 0.20 -0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 53.83 3cdf s MET 4 Cb -0.15 -3.47 0.06 0.00 2.01 0.00 0.00 34.83 33.28 3cdf s MET 4 CO 0.09 0.03 0.09 0.99 -0.01 0.00 0.00 175.02 176.21 3cdf s THR 5 N 1.11 3.32 -0.08 2.05 2.01 -0.10 -4.49 115.64 119.45 3cdf s THR 5 Ca 0.06 -1.50 -0.04 0.00 0.31 0.00 0.00 61.69 60.53 3cdf s THR 5 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 3cdf s THR 5 CO 0.05 -0.29 0.09 -1.58 -0.69 0.00 0.00 174.62 172.19 3cdf s GLN 6 N 1.27 3.22 -0.07 4.92 0.74 -1.26 -1.78 119.66 126.70 3cdf s GLN 6 Ca -0.00 -0.29 -0.11 0.00 0.05 0.00 0.00 55.36 55.00 3cdf s GLN 6 Cb -0.21 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 30.93 3cdf s GLN 6 CO -0.01 0.73 0.28 0.45 -0.55 0.00 0.00 175.29 176.19 3cdf s SER 7 N -1.15 -0.24 0.74 6.67 0.15 -0.50 -4.67 113.70 114.70 3cdf s SER 7 Ca 0.16 0.36 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 3cdf s SER 7 Cb -0.12 0.48 0.12 0.00 -1.71 0.00 0.00 66.02 64.79 3cdf s SER 7 CO 0.06 -0.23 0.78 -0.81 1.20 0.00 0.00 173.24 174.23 3cdf n PRO 8 N 2.28 -0.20 0.09 5.44 -0.04 -1.26 -1.27 135.00 140.03 3cdf n PRO 8 Ca -0.16 -1.79 -0.16 0.00 -0.04 0.00 0.00 63.50 61.34 3cdf n PRO 8 Cb 0.57 -0.62 -0.14 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.66 0.42 -5.01 3.54 0.02 -1.83 -3.38 113.55 106.64 3cdf h SER 9 Ca -0.25 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.13 3cdf h SER 9 Cb 0.86 -0.14 -0.17 0.00 0.14 0.00 0.00 62.40 63.09 3cdf h SER 9 CO 0.24 1.39 -0.02 -0.94 -1.14 0.00 0.00 176.83 176.36 3cdf s SER 10 N -7.08 -0.40 0.05 3.07 1.04 -1.26 -1.64 113.70 107.47 3cdf s SER 10 Ca -0.06 0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 3cdf s SER 10 Cb 0.07 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.68 3cdf s SER 10 CO 0.87 -0.64 0.42 -1.48 0.98 0.00 0.00 173.24 173.39 3cdf s LEU 11 N -1.72 0.37 -0.07 2.42 0.05 -0.57 -4.92 118.68 114.24 3cdf s LEU 11 Ca -0.08 -0.03 0.04 0.00 0.05 0.00 0.00 54.13 54.12 3cdf s LEU 11 Cb -0.01 1.78 -0.01 0.00 -2.05 0.00 0.00 46.19 45.89 3cdf s LEU 11 CO 0.01 -0.69 -0.21 -0.55 -0.55 0.00 0.00 176.35 174.37 3cdf s SER 12 N -2.09 3.40 0.30 1.48 0.15 -1.26 -1.22 113.70 114.46 3cdf s SER 12 Ca -0.04 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 3cdf s SER 12 Cb -0.00 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 3cdf s SER 12 CO -0.03 0.24 0.49 0.00 1.20 0.00 0.00 173.24 175.13 3cdf s ALA 13 N -0.12 0.18 0.19 5.45 0.00 -0.73 -4.76 121.76 121.97 3cdf s ALA 13 Ca -0.04 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3cdf s ALA 13 Cb -0.14 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 3cdf s ALA 13 CO 0.04 -0.83 0.11 -1.12 0.00 0.00 0.00 175.76 173.96 3cdf s SER 14 N -3.12 5.31 0.23 0.00 0.01 -1.26 -0.22 113.70 114.65 3cdf s SER 14 Ca 0.26 -0.24 -0.31 0.00 1.31 0.00 0.00 55.95 56.97 3cdf s SER 14 Cb -0.01 -1.31 -0.14 0.00 0.21 0.00 0.00 66.02 64.77 3cdf s SER 14 CO 0.14 0.05 1.30 0.52 0.41 0.00 0.00 173.24 175.65 3cdf n VAL 15 N -0.48 1.09 0.00 3.43 0.31 -1.26 -1.20 118.33 120.22 3cdf n VAL 15 Ca -0.08 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3cdf n VAL 15 Cb 0.56 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 1.95 2.45 3.81 2.92 0.00 0.11 -4.89 105.19 111.55 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 -1.54 6.12 0.02 1.61 1.01 -0.34 -4.23 116.67 119.33 3cdf s ASP 17 Ca 0.00 1.79 -0.28 0.00 0.71 0.00 0.00 52.55 54.77 3cdf s ASP 17 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3cdf s ASP 17 CO 0.00 -0.93 0.89 -0.60 0.21 0.00 0.00 175.17 174.74 3cdf s ARG 18 N -3.85 4.56 -0.13 8.23 3.52 -1.24 -0.32 118.95 129.72 3cdf s ARG 18 Ca 0.63 1.28 0.01 0.00 -0.13 0.00 0.00 55.73 57.52 3cdf s ARG 18 Cb -0.15 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3cdf s ARG 18 CO 0.31 0.08 -0.15 0.08 -0.81 0.00 0.00 175.30 174.81 3cdf s VAL 19 N 0.57 2.78 -0.10 7.11 1.01 0.07 -4.98 120.40 126.86 3cdf s VAL 19 Ca 0.46 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3cdf s VAL 19 Cb -0.21 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3cdf s VAL 19 CO 0.26 0.53 -0.10 -0.89 0.00 0.00 0.00 175.10 174.90 3cdf s THR 20 N 0.47 1.15 -0.02 3.92 2.01 -1.26 -0.70 115.64 121.21 3cdf s THR 20 Ca -0.11 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.55 3cdf s THR 20 Cb -0.16 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3cdf s THR 20 CO 0.05 0.38 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.53 3cdf s ILE 21 N 1.35 1.55 0.20 1.82 1.01 0.05 -4.77 121.20 122.41 3cdf s ILE 21 Ca -0.01 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 59.91 3cdf s ILE 21 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3cdf s ILE 21 CO -0.05 0.44 -0.16 0.42 0.00 0.00 0.00 174.94 175.59 3cdf s THR 22 N -0.43 2.79 -0.10 2.92 -4.23 -0.40 -0.70 115.64 115.49 3cdf s THR 22 Ca 0.07 -1.89 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 3cdf s THR 22 Cb -0.08 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.43 3cdf s THR 22 CO -0.01 -0.15 0.20 0.00 -0.54 0.00 0.00 174.62 174.12 3cdf s GLN 24 N 1.94 2.00 0.04 0.00 0.74 -0.73 -0.55 119.66 123.09 3cdf s GLN 24 Ca -0.02 -1.04 0.04 0.00 0.05 0.00 0.00 55.36 54.39 3cdf s GLN 24 Cb -0.12 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 3cdf s GLN 24 CO -0.07 0.52 -0.04 0.00 -0.55 0.00 0.00 175.29 175.15 3cdf s ALA 25 N -0.99 3.12 -1.06 1.58 0.00 0.73 -0.92 121.76 124.21 3cdf s ALA 25 Ca 0.16 -1.06 0.14 0.00 0.00 0.00 0.00 51.96 51.20 3cdf s ALA 25 Cb -0.11 -1.15 0.62 0.00 0.00 0.00 0.00 23.12 22.48 3cdf s ALA 25 CO 0.07 0.65 1.44 -1.13 0.00 0.00 0.00 175.76 176.79 3cdf n SER 26 N 1.17 0.00 -3.89 0.00 3.41 -0.27 -4.76 113.62 109.28 3cdf n SER 26 Ca -0.14 0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 58.82 3cdf n SER 26 Cb 0.52 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.94 1.45 -0.05 4.33 -2.07 -1.26 -4.97 119.66 114.15 3cdf s GLN 27 Ca 0.08 -1.07 -0.30 0.00 -1.82 0.00 0.00 55.36 52.25 3cdf s GLN 27 Cb 0.09 0.49 -0.06 0.00 -1.09 0.00 0.00 33.01 32.44 3cdf s GLN 27 CO 0.25 -0.61 1.74 0.34 -1.32 0.00 0.00 175.29 175.69 3cdf s ASP 28 N -2.95 6.56 -0.21 12.60 -1.08 -1.26 -4.66 116.67 125.67 3cdf s ASP 28 Ca 0.16 2.27 0.14 0.00 -0.52 0.00 0.00 52.55 54.60 3cdf s ASP 28 Cb -0.01 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.42 3cdf s ASP 28 CO 0.03 -1.01 1.42 2.30 0.52 0.00 0.00 175.17 178.42 3cdf n ILE 29 N 5.64 2.35 -1.36 4.11 -5.35 -0.01 -4.99 119.36 119.75 3cdf n ILE 29 Ca 0.18 -2.20 0.00 0.00 -0.27 0.00 0.00 62.75 60.46 3cdf n ILE 29 Cb 0.43 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 3cdf n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3cdf n SER 30 N -0.80 0.00 -1.64 7.28 7.64 -1.25 -1.32 113.62 123.52 3cdf n SER 30 Ca 0.25 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.16 3cdf n SER 30 Cb 0.92 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.45 3cdf n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3cdf n ASN 31 N 1.68 4.83 -3.67 6.43 6.94 -1.26 -0.64 115.26 129.57 3cdf n ASN 31 Ca 0.00 -3.10 -0.42 0.00 -0.02 0.00 0.00 54.58 51.05 3cdf n ASN 31 Cb 0.00 -0.67 -0.01 0.00 -2.36 0.00 0.00 39.78 36.74 3cdf n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3cdf n TYR 32 N -0.01 3.24 -4.22 -2.53 4.01 -0.43 -2.09 117.16 115.12 3cdf n TYR 32 Ca 0.31 -2.87 -0.21 0.00 -0.16 0.00 0.00 57.90 54.97 3cdf n TYR 32 Cb 1.18 -2.46 -0.16 0.00 -0.31 0.00 0.00 39.34 37.58 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 1.86 1.38 0.11 7.72 2.96 -1.26 -1.20 118.68 130.24 3cdf s LEU 33 Ca 0.50 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 3cdf s LEU 33 Cb 0.14 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.29 3cdf s LEU 33 CO -0.07 -0.04 0.13 0.20 -1.32 0.00 0.00 176.35 175.26 3cdf s ASN 34 N 0.88 5.73 -0.12 3.68 0.01 0.71 -0.91 114.94 124.91 3cdf s ASN 34 Ca -0.12 0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 3cdf s ASN 34 Cb -0.15 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 39.95 3cdf s ASN 34 CO 0.01 0.13 -0.16 0.26 -1.51 0.00 0.00 177.10 175.83 3cdf s TRP 35 N -1.54 2.08 0.11 2.20 0.52 0.66 -0.86 118.94 122.12 3cdf s TRP 35 Ca 0.31 -1.03 0.04 0.00 0.02 0.00 0.00 56.10 55.44 3cdf s TRP 35 Cb -0.12 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 3cdf s TRP 35 CO 0.24 -0.53 0.07 0.71 0.02 0.00 0.00 176.95 177.46 3cdf s TYR 36 N 1.09 3.11 -0.14 -1.98 2.02 0.49 -0.89 117.35 121.05 3cdf s TYR 36 Ca -0.04 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 3cdf s TYR 36 Cb -0.14 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3cdf s TYR 36 CO -0.04 0.51 -0.14 -1.14 -1.57 0.00 0.00 175.55 173.17 3cdf s GLN 37 N -2.61 3.29 -0.03 -0.62 0.74 0.14 -1.63 119.66 118.94 3cdf s GLN 37 Ca 0.29 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 55.03 3cdf s GLN 37 Cb -0.11 -2.63 -0.01 0.00 1.10 0.00 0.00 33.01 31.36 3cdf s GLN 37 CO 0.21 0.10 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.74 3cdf s GLN 38 N 0.62 1.69 0.08 1.67 -0.44 0.72 -0.24 119.66 123.76 3cdf s GLN 38 Ca -0.08 -0.64 0.09 0.00 -2.50 0.00 0.00 55.36 52.23 3cdf s GLN 38 Cb -0.16 -1.53 -0.03 0.00 -1.64 0.00 0.00 33.01 29.65 3cdf s GLN 38 CO 0.03 0.31 -0.25 0.15 0.50 0.00 0.00 175.29 176.03 3cdf s LYS 39 N -0.16 1.52 0.14 1.67 1.02 -1.26 -0.93 119.74 121.74 3cdf s LYS 39 Ca 0.01 -1.15 -0.35 0.00 0.02 0.00 0.00 55.97 54.50 3cdf s LYS 39 Cb -0.10 -1.79 -0.15 0.00 -0.52 0.00 0.00 37.83 35.28 3cdf s LYS 39 CO 0.01 0.45 1.49 -2.30 -0.92 0.00 0.00 175.35 174.08 3cdf n PRO 40 N 1.45 1.84 -0.97 -1.68 -0.02 -1.26 -1.31 135.00 133.06 3cdf n PRO 40 Ca -0.18 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3cdf n PRO 40 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.06 0.75 3.47 -1.23 0.00 -1.26 -5.01 105.19 104.97 3cdf n GLY 41 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.14 1.68 0.16 1.61 1.02 -0.43 -5.11 119.74 118.54 3cdf s LYS 42 Ca 0.00 -1.55 -0.32 0.00 0.02 0.00 0.00 55.97 54.13 3cdf s LYS 42 Cb 0.00 -1.89 -0.11 0.00 -0.52 0.00 0.00 37.83 35.32 3cdf s LYS 42 CO 0.00 0.38 1.70 0.00 -0.92 0.00 0.00 175.35 176.52 3cdf s ALA 43 N -1.93 3.83 0.36 5.17 0.00 -1.26 -4.58 121.76 123.35 3cdf s ALA 43 Ca 0.24 1.46 -0.27 0.00 0.00 0.00 0.00 51.96 53.40 3cdf s ALA 43 Cb -0.07 -3.69 -0.12 0.00 0.00 0.00 0.00 23.12 19.24 3cdf s ALA 43 CO 0.12 -0.98 1.18 -2.30 0.00 0.00 0.00 175.76 173.79 3cdf n PRO 44 N 4.56 1.80 -4.85 0.00 -0.02 -1.26 -4.75 135.00 130.48 3cdf n PRO 44 Ca 0.16 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 3cdf n PRO 44 Cb 0.37 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.89 2.52 -0.00 -0.52 2.20 0.67 -4.92 119.74 117.79 3cdf s LYS 45 Ca 0.58 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 3cdf s LYS 45 Cb -0.58 -1.99 -0.06 0.00 -1.51 0.00 0.00 37.83 33.69 3cdf s LYS 45 CO 0.60 0.07 1.53 -1.17 -0.36 0.00 0.00 175.35 176.03 3cdf s LEU 46 N 0.60 4.32 -0.20 5.43 2.96 -1.26 -0.68 118.68 129.86 3cdf s LEU 46 Ca -0.14 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.01 3cdf s LEU 46 Cb -0.17 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.84 3cdf s LEU 46 CO 0.04 -0.82 -0.17 0.18 -1.32 0.00 0.00 176.35 174.26 3cdf n LEU 47 N 5.96 2.97 -4.00 -0.68 4.77 -0.07 -4.76 117.00 121.19 3cdf n LEU 47 Ca 0.15 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 3cdf n LEU 47 Cb 0.43 -0.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 3cdf n LEU 47 CO 0.61 0.83 -0.43 -0.63 -1.33 0.00 0.00 177.39 176.43 3cdf s ILE 48 N -2.39 0.75 0.20 -0.08 1.01 -1.10 -1.33 121.20 118.26 3cdf s ILE 48 Ca -0.26 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3cdf s ILE 48 Cb 0.07 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 3cdf s ILE 48 CO 0.45 0.23 0.03 -0.72 0.00 0.00 0.00 174.94 174.93 3cdf s TYR 49 N 0.10 1.31 -1.60 3.97 1.13 -0.15 -0.24 117.35 121.86 3cdf s TYR 49 Ca -0.01 -1.06 -0.13 0.00 -1.41 0.00 0.00 57.07 54.46 3cdf s TYR 49 Cb -0.07 -0.75 0.11 0.00 -1.10 0.00 0.00 41.96 40.14 3cdf s TYR 49 CO 0.00 -0.24 0.69 -0.25 -2.51 0.00 0.00 175.55 173.23 3cdf n ASP 50 N -0.31 -2.51 0.00 -0.18 8.00 -1.10 -0.52 116.55 119.93 3cdf n ASP 50 Ca -0.05 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3cdf n ASP 50 Cb 0.64 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.83 3cdf n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cdf n ALA 51 N -4.42 0.00 -0.94 2.24 0.00 -0.08 -4.09 120.51 113.21 3cdf n ALA 51 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cdf n ALA 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.46 0.06 -4.82 0.00 3.41 -1.03 -3.05 113.62 108.64 3cdf n SER 52 Ca 0.00 -1.01 -0.37 0.00 -0.26 0.00 0.00 58.87 57.23 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 -0.01 6.48 0.02 4.04 0.02 0.32 -4.59 114.94 121.23 3cdf s ASN 53 Ca 0.00 0.57 -0.13 0.00 -1.02 0.00 0.00 52.86 52.28 3cdf s ASN 53 Cb 0.00 -2.14 -0.06 0.00 0.02 0.00 0.00 41.25 39.07 3cdf s ASN 53 CO 0.00 0.30 0.40 -0.76 0.02 0.00 0.00 177.10 177.07 3cdf s LEU 54 N -0.60 4.44 0.82 0.60 1.02 -1.26 -0.98 118.68 122.72 3cdf s LEU 54 Ca 0.17 0.91 -0.11 0.00 0.02 0.00 0.00 54.13 55.12 3cdf s LEU 54 Cb -0.13 -2.70 0.12 0.00 0.02 0.00 0.00 46.19 43.50 3cdf s LEU 54 CO 0.06 0.28 1.16 -1.61 0.02 0.00 0.00 176.35 176.26 3cdf s GLU 55 N -1.33 1.56 0.18 1.70 0.41 -0.44 -4.96 118.70 115.82 3cdf s GLU 55 Ca 0.26 -0.29 -0.32 0.00 -0.41 0.00 0.00 54.97 54.22 3cdf s GLU 55 Cb -0.16 -2.02 -0.11 0.00 -1.78 0.00 0.00 34.13 30.06 3cdf s GLU 55 CO 0.15 -1.75 1.77 0.99 -0.49 0.00 0.00 175.26 175.92 3cdf s THR 56 N -3.55 2.18 0.00 3.63 2.01 -1.26 -2.02 115.64 116.63 3cdf s THR 56 Ca 0.66 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.67 3cdf s THR 56 Cb -0.08 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3cdf s THR 56 CO 0.49 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3cdf n GLY 57 N 4.08 1.20 3.67 4.40 0.00 -1.26 -4.99 105.19 112.29 3cdf n GLY 57 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.54 4.25 0.67 1.61 1.01 -0.86 -4.99 120.40 118.56 3cdf s VAL 58 Ca 0.00 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.38 3cdf s VAL 58 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3cdf s VAL 58 CO 0.00 -0.06 1.14 -2.84 0.00 0.00 0.00 175.10 173.34 3cdf s PRO 59 N 2.80 2.63 0.15 2.72 0.02 -1.26 -4.90 135.00 137.16 3cdf s PRO 59 Ca 0.55 1.51 0.15 0.00 0.02 0.00 0.00 61.00 63.24 3cdf s PRO 59 Cb -0.23 -1.92 0.71 0.00 0.02 0.00 0.00 34.50 33.08 3cdf s PRO 59 CO 0.19 -1.41 1.48 -1.13 -0.33 0.00 0.00 177.00 175.80 3cdf n SER 60 N -2.45 0.32 0.18 2.53 3.41 -1.26 -1.71 113.62 114.65 3cdf n SER 60 Ca 0.11 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 3cdf n SER 60 Cb 0.51 -0.67 0.57 0.00 -0.26 0.00 0.00 64.21 64.36 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 -6.03 4.33 0.11 -1.94 -3.42 114.38 107.43 3cdf h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 3cdf h ARG 61 Cb 0.17 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.19 3cdf h ARG 61 CO 0.00 0.00 -0.07 -0.06 0.10 0.00 0.00 179.97 179.94 3cdf s PHE 62 N -3.45 3.67 0.10 4.08 0.08 -0.70 -0.33 117.98 121.44 3cdf s PHE 62 Ca 0.03 1.12 -0.08 0.00 0.12 0.00 0.00 56.93 58.12 3cdf s PHE 62 Cb 0.09 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3cdf s PHE 62 CO 0.45 0.39 0.19 -1.54 -0.10 0.00 0.00 175.22 174.62 3cdf s SER 63 N -0.29 0.13 0.03 1.36 1.04 -0.33 -4.98 113.70 110.66 3cdf s SER 63 Ca 0.29 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3cdf s SER 63 Cb -0.18 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 3cdf s SER 63 CO 0.16 -0.75 -0.07 -0.83 0.98 0.00 0.00 173.24 172.72 3cdf s GLY 64 N -2.89 0.45 0.18 7.32 0.00 -1.26 -0.81 107.32 110.31 3cdf s GLY 64 Ca 0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 3cdf s GLY 64 CO -0.09 -0.69 0.29 -1.35 0.00 0.00 0.00 173.10 171.27 3cdf s SER 65 N -1.29 0.04 0.00 1.64 1.04 -0.13 -4.24 113.70 110.76 3cdf s SER 65 Ca -0.08 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3cdf s SER 65 Cb -0.08 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.49 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 -0.25 3.43 3.31 7.32 0.00 -1.26 -1.02 105.19 116.71 3cdf n GLY 66 Ca -0.05 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.26 0.15 1.61 0.15 -1.20 -4.84 113.70 109.31 3cdf s SER 67 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3cdf s SER 67 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3cdf s SER 67 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 3cdf n GLY 68 N 0.66 1.76 0.01 9.45 0.00 0.18 -3.65 105.19 113.60 3cdf n GLY 68 Ca -0.19 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 0.07 -5.07 2.61 -2.24 -1.26 -0.83 114.28 107.57 3cdf n THR 69 Ca 0.00 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 3cdf n THR 69 Cb 0.00 0.14 -0.17 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.89 3.05 0.04 3.42 1.01 -1.24 -0.19 116.67 119.87 3cdf s ASP 70 Ca -0.02 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.69 3cdf s ASP 70 Cb 0.04 -1.40 -0.03 0.00 1.01 0.00 0.00 42.92 42.54 3cdf s ASP 70 CO 0.25 0.14 -0.07 -0.36 0.21 0.00 0.00 175.17 175.33 3cdf s PHE 71 N 0.47 0.67 -0.02 4.23 0.08 0.29 -3.24 117.98 120.45 3cdf s PHE 71 Ca -0.16 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.38 3cdf s PHE 71 Cb -0.17 -0.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 3cdf s PHE 71 CO 0.06 -0.09 -0.07 0.99 -0.10 0.00 0.00 175.22 176.00 3cdf s THR 72 N -1.55 0.65 -0.12 0.64 2.01 -0.19 -1.31 115.64 115.79 3cdf s THR 72 Ca -0.09 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.63 3cdf s THR 72 Cb -0.09 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3cdf s THR 72 CO -0.00 0.21 -0.15 0.12 -0.69 0.00 0.00 174.62 174.11 3cdf s PHE 73 N 0.18 2.77 -0.02 4.92 5.36 0.12 -0.96 117.98 130.34 3cdf s PHE 73 Ca -0.02 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.34 3cdf s PHE 73 Cb -0.07 -1.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3cdf s PHE 73 CO 0.00 -0.19 -0.10 0.99 -1.46 0.00 0.00 175.22 174.46 3cdf s THR 74 N 0.21 0.86 -0.29 0.12 2.01 0.01 -0.77 115.64 117.80 3cdf s THR 74 Ca -0.09 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 3cdf s THR 74 Cb -0.15 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.61 3cdf s THR 74 CO 0.05 0.26 0.06 -0.63 -0.69 0.00 0.00 174.62 173.68 3cdf s ILE 75 N 0.10 3.83 0.27 1.82 1.01 0.12 -1.18 121.20 127.17 3cdf s ILE 75 Ca -0.02 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.01 3cdf s ILE 75 Cb -0.08 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3cdf s ILE 75 CO 0.00 0.11 1.63 0.77 0.00 0.00 0.00 174.94 177.45 3cdf h SER 76 N 8.20 0.11 -1.88 3.58 4.64 -0.97 0.24 113.55 127.48 3cdf h SER 76 Ca -0.32 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 60.67 3cdf h SER 76 Cb 1.13 -0.03 -0.30 0.00 -0.31 0.00 0.00 62.40 62.88 3cdf h SER 76 CO 0.60 0.65 -0.60 -0.55 -0.87 0.00 0.00 176.83 176.06 3cdf s SER 77 N -6.88 0.92 0.14 4.97 0.15 -1.24 -3.68 113.70 108.07 3cdf s SER 77 Ca -0.03 -0.80 -0.34 0.00 0.70 0.00 0.00 55.95 55.48 3cdf s SER 77 Cb 0.13 0.82 -0.14 0.00 -1.71 0.00 0.00 66.02 65.12 3cdf s SER 77 CO 0.77 -0.34 1.60 -0.11 1.20 0.00 0.00 173.24 176.37 3cdf n LEU 78 N 5.04 3.12 -4.64 3.45 7.94 0.56 -4.60 117.00 127.87 3cdf n LEU 78 Ca 0.03 1.07 -0.23 0.00 -1.11 0.00 0.00 56.01 55.77 3cdf n LEU 78 Cb 0.48 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 3cdf n LEU 78 CO 0.01 -0.27 -0.33 -1.10 -1.11 0.00 0.00 177.39 174.59 3cdf s GLN 79 N 1.17 2.28 0.31 1.96 -1.52 -1.26 0.07 119.66 122.66 3cdf s GLN 79 Ca 0.80 -1.41 0.03 0.00 -1.95 0.00 0.00 55.36 52.83 3cdf s GLN 79 Cb -0.68 -2.16 0.63 0.00 -0.22 0.00 0.00 33.01 30.58 3cdf s GLN 79 CO 0.39 0.37 1.86 -1.35 -0.25 0.00 0.00 175.29 176.31 3cdf h PRO 80 N 1.93 0.88 0.00 2.91 0.11 -2.00 0.20 132.00 136.04 3cdf h PRO 80 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cdf h PRO 80 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3cdf h PRO 80 CO 0.60 0.59 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 3cdf n GLU 81 N -4.58 0.25 0.00 1.05 0.00 -1.26 -2.42 120.64 113.68 3cdf n GLU 81 Ca 0.18 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.59 3cdf n GLU 81 Cb 0.36 -1.50 0.41 0.00 0.00 0.00 0.00 31.44 30.71 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 -1.24 0.67 -4.66 -1.84 8.00 0.06 -4.85 116.55 112.69 3cdf n ASP 82 Ca 0.08 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.62 3cdf n ASP 82 Cb 0.11 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 -2.67 3.66 -0.06 0.53 -1.09 -1.02 -4.86 121.20 115.70 3cdf s ILE 83 Ca 0.21 0.82 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 3cdf s ILE 83 Cb 0.19 -3.53 0.12 0.00 -1.58 0.00 0.00 42.46 37.66 3cdf s ILE 83 CO 0.56 -0.07 1.36 0.00 -1.23 0.00 0.00 174.94 175.56 3cdf s ALA 84 N 3.84 -2.51 -0.15 9.38 0.00 -1.21 -4.90 121.76 126.21 3cdf s ALA 84 Ca 0.71 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 3cdf s ALA 84 Cb -0.32 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3cdf s ALA 84 CO 0.28 -1.11 0.05 0.99 0.00 0.00 0.00 175.76 175.97 3cdf s THR 85 N -2.10 4.72 -0.06 0.00 2.01 -0.11 -1.12 115.64 118.99 3cdf s THR 85 Ca 0.22 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3cdf s THR 85 Cb 0.04 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3cdf s THR 85 CO -0.04 0.51 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.02 3cdf s TYR 86 N -0.06 2.92 -0.02 4.92 1.51 0.06 -0.20 117.35 126.48 3cdf s TYR 86 Ca 0.06 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 3cdf s TYR 86 Cb -0.12 -1.69 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3cdf s TYR 86 CO 0.01 0.33 -0.12 -1.01 -1.11 0.00 0.00 175.55 173.65 3cdf s HIS 87 N -0.83 1.19 0.28 2.71 3.76 -0.65 -0.44 115.29 121.30 3cdf s HIS 87 Ca 0.13 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 3cdf s HIS 87 Cb -0.11 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.72 3cdf s HIS 87 CO 0.02 -0.08 0.57 0.00 -0.85 0.00 0.00 174.74 174.41 3cdf s GLN 89 N -3.28 0.12 0.12 0.00 0.74 -0.04 0.29 119.66 117.61 3cdf s GLN 89 Ca 0.46 0.39 -0.13 0.00 0.05 0.00 0.00 55.36 56.12 3cdf s GLN 89 Cb -0.11 -0.14 -0.07 0.00 1.10 0.00 0.00 33.01 33.79 3cdf s GLN 89 CO 0.27 -0.15 0.50 1.14 -0.55 0.00 0.00 175.29 176.50 3cdf s GLN 90 N 1.09 3.93 -0.26 1.67 1.03 -0.30 -0.21 119.66 126.61 3cdf s GLN 90 Ca -0.08 0.42 0.18 0.00 0.04 0.00 0.00 55.36 55.91 3cdf s GLN 90 Cb -0.10 -2.98 0.49 0.00 0.03 0.00 0.00 33.01 30.44 3cdf s GLN 90 CO -0.06 0.52 1.14 2.48 -2.54 0.00 0.00 175.29 176.83 3cdf n TYR 91 N 0.94 1.67 -0.07 9.60 4.11 -0.34 -3.22 117.16 129.85 3cdf n TYR 91 Ca -0.07 -2.08 -0.14 0.00 -0.00 0.00 0.00 57.90 55.62 3cdf n TYR 91 Cb 0.52 -0.26 -0.12 0.00 -0.00 0.00 0.00 39.34 39.47 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 2.36 0.00 -3.37 9.48 3.58 -1.85 -3.47 116.42 123.14 3cdf h ASP 92 Ca 0.03 -0.92 -0.46 0.00 0.42 0.00 0.00 57.03 56.10 3cdf h ASP 92 Cb 1.38 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 42.08 3cdf h ASP 92 CO 0.36 1.00 -0.79 0.20 -2.88 0.00 0.00 179.24 177.13 3cdf s ASN 93 N -6.22 1.48 0.35 2.28 0.01 -1.26 -5.11 114.94 106.47 3cdf s ASN 93 Ca -0.18 -0.20 -0.28 0.00 -0.71 0.00 0.00 52.86 51.48 3cdf s ASN 93 Cb -0.02 -0.63 -0.10 0.00 0.41 0.00 0.00 41.25 40.91 3cdf s ASN 93 CO 0.65 -0.06 1.30 -0.76 -1.51 0.00 0.00 177.10 176.72 3cdf s LEU 94 N 1.11 4.36 0.29 0.60 1.43 -1.26 -3.74 118.68 121.46 3cdf s LEU 94 Ca -0.07 2.67 -0.29 0.00 -1.03 0.00 0.00 54.13 55.41 3cdf s LEU 94 Cb -0.14 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.25 3cdf s LEU 94 CO -0.01 -0.62 1.12 -2.16 0.23 0.00 0.00 176.35 174.91 3cdf s PRO 95 N -1.93 4.60 -1.08 1.29 0.04 -1.26 -4.97 135.00 131.69 3cdf s PRO 95 Ca 0.51 1.85 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 3cdf s PRO 95 Cb -0.39 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3cdf s PRO 95 CO 0.52 0.16 1.73 0.71 0.04 0.00 0.00 177.00 180.16 3cdf s TYR 96 N -1.16 2.29 0.49 0.56 2.02 -1.25 -4.71 117.35 115.60 3cdf s TYR 96 Ca 0.45 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.57 3cdf s TYR 96 Cb -0.33 -4.41 -0.08 0.00 -0.40 0.00 0.00 41.96 36.73 3cdf s TYR 96 CO 0.42 -1.73 0.99 0.95 -1.57 0.00 0.00 175.55 174.62 3cdf s THR 97 N 7.25 4.27 0.15 -0.71 -4.23 -1.20 -4.67 115.64 116.49 3cdf s THR 97 Ca 0.58 1.24 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 3cdf s THR 97 Cb -0.01 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3cdf s THR 97 CO 0.01 -0.47 0.11 -0.36 -0.54 0.00 0.00 174.62 173.37 3cdf s PHE 98 N -2.35 3.13 1.02 3.99 0.08 -1.26 -1.15 117.98 121.43 3cdf s PHE 98 Ca 0.62 -0.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 3cdf s PHE 98 Cb -0.11 -1.52 0.20 0.00 -0.57 0.00 0.00 43.02 41.02 3cdf s PHE 98 CO 0.24 0.52 1.08 0.20 -0.10 0.00 0.00 175.22 177.17 3cdf s GLY 99 N -2.96 1.57 0.12 4.36 0.00 0.15 -4.60 107.32 105.95 3cdf s GLY 99 Ca 0.30 -0.31 0.24 0.00 0.00 0.00 0.00 44.72 44.95 3cdf s GLY 99 CO 0.23 0.31 1.73 -1.06 0.00 0.00 0.00 173.10 174.31 3cdf n GLN 100 N -4.26 0.12 0.00 2.90 3.00 -1.26 -4.70 117.38 113.17 3cdf n GLN 100 Ca 0.05 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 3cdf n GLN 100 Cb 0.57 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 29.14 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 0.76 1.12 2.85 1.08 0.00 -1.26 -5.03 105.19 104.71 3cdf n GLY 101 Ca 0.05 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.74 0.78 -0.28 2.61 2.01 0.41 -4.48 115.64 113.96 3cdf s THR 102 Ca 0.00 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 3cdf s THR 102 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 3cdf s THR 102 CO 0.00 0.27 0.54 -0.75 -0.69 0.00 0.00 174.62 173.98 3cdf s LYS 103 N 1.80 3.99 -0.23 4.92 2.20 -0.65 -0.76 119.74 131.01 3cdf s LYS 103 Ca 0.04 0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.83 3cdf s LYS 103 Cb -0.13 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3cdf s LYS 103 CO -0.07 -0.42 0.11 -1.17 -0.36 0.00 0.00 175.35 173.44 3cdf s LEU 104 N 2.38 3.84 0.14 5.43 0.20 -0.27 -1.51 118.68 128.88 3cdf s LEU 104 Ca 0.22 0.01 0.08 0.00 0.69 0.00 0.00 54.13 55.13 3cdf s LEU 104 Cb -0.15 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 3cdf s LEU 104 CO 0.10 0.06 -0.19 -1.61 -0.29 0.00 0.00 176.35 174.42 3cdf s GLU 105 N 1.08 1.22 0.07 1.98 2.02 -0.36 -3.28 118.70 121.42 3cdf s GLU 105 Ca 0.06 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.43 3cdf s GLU 105 Cb -0.14 -1.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 3cdf s GLU 105 CO 0.04 0.29 1.04 0.42 0.02 0.00 0.00 175.26 177.07 3cdf s ILE 106 N -1.72 4.46 -1.22 -1.63 -1.09 -1.26 -1.77 121.20 116.97 3cdf s ILE 106 Ca 0.12 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 3cdf s ILE 106 Cb -0.07 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3cdf s ILE 106 CO 0.06 0.21 0.30 1.17 -1.23 0.00 0.00 174.94 175.45