#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3j s SER 2 N 0.00 5.45 -0.66 6.12 1.04 -1.26 -4.99 113.70 119.40 2h3j s SER 2 Ca 0.00 -1.65 0.05 0.00 0.48 0.00 0.00 55.95 54.84 2h3j s SER 2 Cb 0.00 -1.91 0.20 0.00 0.10 0.00 0.00 66.02 64.40 2h3j s SER 2 CO 0.00 -0.52 0.56 0.00 0.98 0.00 0.00 173.24 174.26 2h3j n ALA 3 N 4.79 3.55 -2.74 5.32 0.00 -1.26 -5.09 120.51 125.09 2h3j n ALA 3 Ca -0.08 -4.48 -0.27 0.00 0.00 0.00 0.00 53.44 48.61 2h3j n ALA 3 Cb 0.42 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3j s LEU 4 N -1.66 3.59 -0.42 0.00 1.02 -1.26 -4.89 118.68 115.05 2h3j s LEU 4 Ca 0.30 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 54.26 2h3j s LEU 4 Cb 0.03 -2.22 0.17 0.00 0.02 0.00 0.00 46.19 44.18 2h3j s LEU 4 CO -0.12 0.09 0.43 -1.58 0.02 0.00 0.00 176.35 175.18 2h3j s GLN 5 N -2.97 0.84 0.72 1.70 0.74 0.11 -5.03 119.66 115.78 2h3j s GLN 5 Ca 0.29 -1.45 -0.14 0.00 0.05 0.00 0.00 55.36 54.11 2h3j s GLN 5 Cb -0.10 -0.89 0.04 0.00 1.10 0.00 0.00 33.01 33.16 2h3j s GLN 5 CO 0.21 -1.31 1.15 -2.14 -0.55 0.00 0.00 175.29 172.66 2h3j s PRO 6 N 0.71 2.29 0.01 1.67 0.02 -1.25 -4.40 135.00 134.06 2h3j s PRO 6 Ca 0.27 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.83 2h3j s PRO 6 Cb -0.04 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2h3j s PRO 6 CO -0.10 -1.67 0.00 0.45 -0.33 0.00 0.00 177.00 175.35 2h3j n SER 7 N -2.82 0.01 -3.58 2.53 2.88 -1.26 -5.07 113.62 106.32 2h3j n SER 7 Ca 0.12 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 2h3j n SER 7 Cb 0.51 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2h3j s ARG 8 N -1.06 1.71 -0.08 -1.46 0.52 -1.26 -5.06 118.95 112.25 2h3j s ARG 8 Ca 0.00 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 53.59 2h3j s ARG 8 Cb 0.00 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.86 2h3j s ARG 8 CO 0.00 -0.69 -0.14 0.45 0.02 0.00 0.00 175.30 174.95 2h3j s SER 9 N -3.18 4.01 0.08 0.23 0.15 -1.26 -2.70 113.70 111.03 2h3j s SER 9 Ca 0.31 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.80 2h3j s SER 9 Cb 0.01 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 2h3j s SER 9 CO 0.17 0.27 -0.26 -0.31 1.20 0.00 0.00 173.24 174.30 2h3j s TYR 10 N -0.27 2.32 0.03 3.44 2.02 0.71 -3.11 117.35 122.50 2h3j s TYR 10 Ca 0.02 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2h3j s TYR 10 Cb -0.13 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 2h3j s TYR 10 CO 0.03 0.21 0.10 -0.98 -1.57 0.00 0.00 175.55 173.34 2h3j s ARG 11 N -1.57 3.06 -0.39 -0.62 1.70 0.15 0.30 118.95 121.60 2h3j s ARG 11 Ca 0.13 -0.53 -0.24 0.00 -0.47 0.00 0.00 55.73 54.61 2h3j s ARG 11 Cb -0.10 -2.85 0.01 0.00 -0.57 0.00 0.00 34.95 31.45 2h3j s ARG 11 CO 0.04 0.62 0.84 0.42 -1.08 0.00 0.00 175.30 176.14 2h3j s ILE 12 N -1.28 4.65 0.25 4.99 1.01 0.29 -1.19 121.20 129.91 2h3j s ILE 12 Ca 0.26 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2h3j s ILE 12 Cb -0.12 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.10 2h3j s ILE 12 CO 0.18 -0.54 1.65 0.74 0.00 0.00 0.00 174.94 176.97 2h3j h THR 13 N 5.84 1.28 0.00 2.92 2.02 -1.10 -0.85 112.91 123.02 2h3j h THR 13 Ca -0.24 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2h3j h THR 13 Cb 1.09 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 2h3j h THR 13 CO 0.95 0.45 0.00 0.61 0.37 0.00 0.00 175.52 177.90 2h3j n GLY 14 N -0.19 -0.43 3.92 2.16 0.00 -1.22 -4.66 105.19 104.76 2h3j n GLY 14 Ca -0.01 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 2h3j n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h3j s TYR 15 N -3.68 3.48 0.30 1.61 2.02 -1.26 -1.41 117.35 118.41 2h3j s TYR 15 Ca 0.00 0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.60 2h3j s TYR 15 Cb 0.00 -1.72 -0.10 0.00 -0.40 0.00 0.00 41.96 39.75 2h3j s TYR 15 CO 0.00 0.56 1.16 0.45 -1.57 0.00 0.00 175.55 176.15 2h3j s SER 16 N -2.74 7.12 0.65 2.29 0.15 0.30 -4.69 113.70 116.79 2h3j s SER 16 Ca 0.34 2.39 0.38 0.00 0.70 0.00 0.00 55.95 59.77 2h3j s SER 16 Cb -0.12 -2.63 2.10 0.00 -1.71 0.00 0.00 66.02 63.66 2h3j s SER 16 CO 0.28 -0.26 2.22 -0.65 1.20 0.00 0.00 173.24 176.03 2h3j h PRO 17 N 3.67 0.00 -0.63 5.44 0.11 -1.92 -0.90 132.00 137.77 2h3j h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2h3j h PRO 17 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2h3j h PRO 17 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 2h3j n ALA 18 N -2.08 3.07 -1.60 -0.75 0.00 -1.26 -4.94 120.51 112.95 2h3j n ALA 18 Ca -0.02 -1.19 -0.33 0.00 0.00 0.00 0.00 53.44 51.90 2h3j n ALA 18 Cb 0.18 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.62 2h3j n ALA 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2h3j s ILE 19 N -1.88 3.55 0.24 0.00 2.07 -0.34 -5.02 121.20 119.83 2h3j s ILE 19 Ca 0.37 0.73 -0.22 0.00 -1.41 0.00 0.00 60.65 60.13 2h3j s ILE 19 Cb 0.25 -3.26 -0.09 0.00 0.13 0.00 0.00 42.46 39.50 2h3j s ILE 19 CO 0.16 -0.44 0.79 -0.55 -1.91 0.00 0.00 174.94 172.99 2h3j s SER 20 N -2.68 7.18 0.21 4.50 0.15 -1.26 -4.99 113.70 116.80 2h3j s SER 20 Ca 0.65 1.56 -0.31 0.00 0.70 0.00 0.00 55.95 58.55 2h3j s SER 20 Cb -0.18 -2.47 -0.10 0.00 -1.71 0.00 0.00 66.02 61.56 2h3j s SER 20 CO 0.39 0.04 1.52 0.21 1.20 0.00 0.00 173.24 176.60 2h3j s ASN 21 N -1.56 6.59 0.00 5.45 3.84 -1.26 -1.97 114.94 126.02 2h3j s ASN 21 Ca 0.44 2.67 0.00 0.00 0.21 0.00 0.00 52.86 56.17 2h3j s ASN 21 Cb -0.18 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.91 2h3j s ASN 21 CO 0.22 -0.79 0.00 0.61 -2.79 0.00 0.00 177.10 174.35 2h3j n GLY 22 N 3.03 2.33 0.27 1.21 0.00 -1.26 -4.73 105.19 106.03 2h3j n GLY 22 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2h3j n GLY 22 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2h3j h TYR 23 N 0.00 0.70 -0.71 1.61 3.20 -1.80 -0.72 116.97 119.24 2h3j h TYR 23 Ca 0.00 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2h3j h TYR 23 Cb 0.00 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2h3j h TYR 23 CO 0.00 0.72 0.45 -0.09 -1.64 0.00 0.00 178.16 177.60 2h3j h ARG 24 N 0.59 0.86 -0.40 1.82 2.43 -1.80 0.54 114.38 118.42 2h3j h ARG 24 Ca 0.11 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2h3j h ARG 24 Cb 0.52 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2h3j h ARG 24 CO 0.03 0.57 -0.10 1.96 -1.51 0.00 0.00 179.97 180.92 2h3j h GLN 25 N 0.89 0.71 -0.49 0.20 4.20 -1.67 0.96 115.11 119.91 2h3j h GLN 25 Ca 0.28 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 2h3j h GLN 25 Cb 0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2h3j h GLN 25 CO -0.10 0.79 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.58 2h3j h ARG 26 N 0.65 0.98 -0.44 1.46 2.43 -0.63 -0.54 114.38 118.29 2h3j h ARG 26 Ca 0.11 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 2h3j h ARG 26 Cb 0.55 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2h3j h ARG 26 CO 0.03 1.08 0.08 -0.07 -1.51 0.00 0.00 179.97 179.58 2h3j h LEU 27 N 0.84 0.69 -0.42 3.80 3.38 -0.41 0.75 115.31 123.93 2h3j h LEU 27 Ca 0.12 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2h3j h LEU 27 Cb 0.75 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2h3j h LEU 27 CO 0.06 0.76 0.22 0.15 0.09 0.00 0.00 178.44 179.72 2h3j h PHE 28 N 0.58 0.40 -0.27 1.13 3.57 -0.75 0.70 116.94 122.31 2h3j h PHE 28 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2h3j h PHE 28 Cb 0.36 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2h3j h PHE 28 CO 0.02 0.21 0.11 1.03 -2.23 0.00 0.00 178.31 177.46 2h3j h SER 29 N 0.44 0.33 1.31 0.41 0.87 -0.69 -1.03 113.55 115.18 2h3j h SER 29 Ca 0.18 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2h3j h SER 29 Cb 0.07 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2h3j h SER 29 CO -0.11 0.30 -0.16 0.24 -0.53 0.00 0.00 176.83 176.56 2h3j h MET 30 N 0.37 0.00 0.00 2.24 2.86 0.03 -3.47 114.93 116.97 2h3j h MET 30 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2h3j h MET 30 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2h3j h MET 30 CO -0.01 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.53 2h3j n GLY 31 N 0.53 1.37 3.25 8.32 0.00 -0.39 -5.07 105.19 113.20 2h3j n GLY 31 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2h3j n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h3j s LEU 32 N 0.00 6.02 0.12 0.99 1.43 0.14 -5.00 118.68 122.37 2h3j s LEU 32 Ca 0.00 -2.14 0.02 0.00 -1.03 0.00 0.00 54.13 50.98 2h3j s LEU 32 Cb 0.00 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2h3j s LEU 32 CO 0.00 -0.68 -0.05 -1.48 0.23 0.00 0.00 176.35 174.37 2h3j s LEU 33 N 1.03 2.40 0.23 1.79 2.34 -1.26 -3.68 118.68 121.54 2h3j s LEU 33 Ca 0.09 -1.05 -0.31 0.00 0.06 0.00 0.00 54.13 52.91 2h3j s LEU 33 Cb -0.23 -0.06 -0.12 0.00 -0.56 0.00 0.00 46.19 45.22 2h3j s LEU 33 CO -0.02 -0.49 1.69 -0.81 -1.06 0.00 0.00 176.35 175.66 2h3j n PRO 34 N -0.09 2.76 0.00 1.48 -0.04 -1.26 -2.78 135.00 135.07 2h3j n PRO 34 Ca -0.11 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 2h3j n PRO 34 Cb 0.61 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3j n GLY 35 N 3.46 1.05 3.38 0.55 0.00 -0.32 -4.97 105.19 108.33 2h3j n GLY 35 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2h3j n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3j s ALA 36 N -2.00 2.80 -0.13 4.61 0.00 -1.12 -4.93 121.76 121.00 2h3j s ALA 36 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2h3j s ALA 36 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2h3j s ALA 36 CO 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 175.76 175.85 2h3j s ALA 37 N 0.84 3.85 0.00 0.00 0.00 -1.26 -0.55 121.76 124.64 2h3j s ALA 37 Ca -0.02 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2h3j s ALA 37 Cb -0.15 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 2h3j s ALA 37 CO 0.01 0.55 -0.25 -0.51 0.00 0.00 0.00 175.76 175.57 2h3j s LEU 38 N -0.85 2.16 0.15 0.00 1.43 0.15 -4.86 118.68 116.86 2h3j s LEU 38 Ca 0.14 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2h3j s LEU 38 Cb -0.12 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2h3j s LEU 38 CO 0.04 0.30 0.30 0.00 0.23 0.00 0.00 176.35 177.21 2h3j s ARG 39 N -0.86 3.46 -0.18 1.70 3.03 -0.84 -0.21 118.95 125.06 2h3j s ARG 39 Ca 0.11 -0.52 -0.14 0.00 2.03 0.00 0.00 55.73 57.21 2h3j s ARG 39 Cb -0.10 -2.95 -0.04 0.00 -1.03 0.00 0.00 34.95 30.82 2h3j s ARG 39 CO 0.00 0.51 0.31 0.54 -1.13 0.00 0.00 175.30 175.53 2h3j s VAL 40 N -1.73 5.28 -0.18 4.99 0.11 -1.10 -0.29 120.40 127.48 2h3j s VAL 40 Ca 0.35 0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 59.77 2h3j s VAL 40 Cb -0.11 -3.65 -0.16 0.00 -1.53 0.00 0.00 36.38 30.93 2h3j s VAL 40 CO 0.28 0.35 0.21 0.58 -3.33 0.00 0.00 175.10 173.20 2h3j h VAL 41 N 4.80 0.84 -2.15 2.04 2.07 -0.25 -3.37 116.25 120.22 2h3j h VAL 41 Ca -0.40 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 2h3j h VAL 41 Cb 1.16 1.89 -0.22 0.00 -1.52 0.00 0.00 31.29 32.61 2h3j h VAL 41 CO 0.74 0.28 0.02 -0.13 0.02 0.00 0.00 177.57 178.50 2h3j s ARG 42 N -2.28 0.72 -0.17 1.57 0.52 -0.55 0.08 118.95 118.84 2h3j s ARG 42 Ca -0.24 0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 55.83 2h3j s ARG 42 Cb 0.04 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.74 2h3j s ARG 42 CO 0.51 -0.11 0.27 0.42 0.02 0.00 0.00 175.30 176.41 2h3j s ILE 43 N 0.79 5.32 0.14 1.52 1.09 -1.26 -0.42 121.20 128.38 2h3j s ILE 43 Ca -0.04 0.49 -0.31 0.00 -1.10 0.00 0.00 60.65 59.70 2h3j s ILE 43 Cb -0.05 -3.61 -0.08 0.00 -1.06 0.00 0.00 42.46 37.66 2h3j s ILE 43 CO -0.06 0.38 1.36 0.00 -0.10 0.00 0.00 174.94 176.52 2h3j s ALA 44 N 0.54 3.57 -2.00 9.38 0.00 -1.25 -4.88 121.76 127.12 2h3j s ALA 44 Ca 0.15 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.27 2h3j s ALA 44 Cb -0.13 -3.52 0.33 0.00 0.00 0.00 0.00 23.12 19.80 2h3j s ALA 44 CO 0.03 -0.59 0.71 -2.30 0.00 0.00 0.00 175.76 173.62 2h3j n PRO 45 N 3.56 0.32 -0.04 0.00 -0.02 -1.26 -1.28 135.00 136.28 2h3j n PRO 45 Ca 0.10 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.61 2h3j n PRO 45 Cb 0.43 -1.27 -0.16 0.00 -0.02 0.00 0.00 33.50 32.48 2h3j n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2h3j n LEU 46 N -0.77 0.00 0.00 2.45 7.99 -1.26 -4.97 117.00 120.44 2h3j n LEU 46 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2h3j n LEU 46 Cb 0.02 0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2h3j n LEU 46 CO 0.03 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 2h3j n GLY 47 N 1.52 2.16 3.55 -0.72 0.00 -0.41 -5.07 105.19 106.23 2h3j n GLY 47 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2h3j n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h3j s ASP 48 N -1.50 1.45 0.30 1.61 1.01 -1.26 -4.70 116.67 113.59 2h3j s ASP 48 Ca 0.00 1.31 -0.10 0.00 0.71 0.00 0.00 52.55 54.48 2h3j s ASP 48 Cb 0.00 -2.04 -0.08 0.00 1.01 0.00 0.00 42.92 41.80 2h3j s ASP 48 CO 0.00 -3.88 -0.11 -2.65 0.21 0.00 0.00 175.17 168.75 2h3j n PRO 49 N -4.68 0.00 -5.16 8.23 -0.01 -1.26 -4.16 135.00 127.96 2h3j n PRO 49 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 63.50 63.22 2h3j n PRO 49 Cb 0.56 -0.54 -0.17 0.00 -0.01 0.00 0.00 33.50 33.34 2h3j n PRO 49 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2h3j s ILE 50 N -1.08 1.93 -0.36 4.25 1.01 -1.14 -3.80 121.20 122.02 2h3j s ILE 50 Ca 0.30 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 2h3j s ILE 50 Cb -0.25 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.59 2h3j s ILE 50 CO 0.36 0.54 1.13 -1.10 0.00 0.00 0.00 174.94 175.87 2h3j s GLN 51 N 0.06 3.94 0.49 2.79 -0.21 0.45 -3.49 119.66 123.69 2h3j s GLN 51 Ca -0.09 0.95 0.02 0.00 0.02 0.00 0.00 55.36 56.26 2h3j s GLN 51 Cb -0.15 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 30.03 2h3j s GLN 51 CO 0.05 -1.07 0.02 0.14 -2.12 0.00 0.00 175.29 172.31 2h3j s VAL 52 N 4.00 1.17 -0.00 1.09 -7.23 0.14 0.47 120.40 120.03 2h3j s VAL 52 Ca 0.48 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2h3j s VAL 52 Cb -0.11 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 2h3j s VAL 52 CO 0.21 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.28 2h3j s GLU 53 N -3.84 0.15 -0.05 4.82 -6.30 0.60 0.42 118.70 114.49 2h3j s GLU 53 Ca 0.11 -0.08 0.03 0.00 -2.50 0.00 0.00 54.97 52.53 2h3j s GLU 53 Cb 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 34.13 33.96 2h3j s GLU 53 CO 0.06 0.04 -0.00 2.41 0.02 0.00 0.00 175.26 177.78 2h3j n THR 54 N 2.98 0.35 0.00 -1.70 -1.04 -1.26 -1.98 114.28 111.64 2h3j n THR 54 Ca -0.13 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2h3j n THR 54 Cb 0.59 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 2h3j n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2h3j n ARG 55 N -2.31 0.00 0.00 -2.82 3.00 -1.26 -4.97 116.66 108.30 2h3j n ARG 55 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2h3j n ARG 55 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2h3j n GLN 56 N -0.54 0.00 -3.97 -0.14 1.13 -1.26 -5.13 117.38 107.47 2h3j n GLN 56 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 2h3j n GLN 56 Cb 0.00 -0.36 -0.08 0.00 0.11 0.00 0.00 30.24 29.91 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2h3j s THR 57 N -1.88 0.16 0.47 5.09 -1.32 -1.26 -5.15 115.64 111.76 2h3j s THR 57 Ca 0.00 -1.47 -0.22 0.00 -1.21 0.00 0.00 61.69 58.79 2h3j s THR 57 Cb 0.00 -1.51 -0.07 0.00 -1.51 0.00 0.00 72.50 69.41 2h3j s THR 57 CO 0.00 -0.71 1.18 -0.44 -2.21 0.00 0.00 174.62 172.44 2h3j s SER 58 N -2.91 6.05 0.03 8.08 0.01 -1.26 -4.00 113.70 119.70 2h3j s SER 58 Ca 0.09 2.33 0.04 0.00 1.31 0.00 0.00 55.95 59.72 2h3j s SER 58 Cb 0.06 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2h3j s SER 58 CO -0.08 -1.00 -0.12 -0.22 0.41 0.00 0.00 173.24 172.22 2h3j s LEU 59 N -3.14 2.15 -0.14 2.44 2.96 0.17 -4.93 118.68 118.19 2h3j s LEU 59 Ca 0.65 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2h3j s LEU 59 Cb -0.29 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 45.88 2h3j s LEU 59 CO 0.35 0.03 -0.16 0.00 -1.32 0.00 0.00 176.35 175.25 2h3j s ALA 60 N -0.76 1.87 -0.02 5.97 0.00 -1.26 0.23 121.76 127.79 2h3j s ALA 60 Ca 0.01 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2h3j s ALA 60 Cb -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2h3j s ALA 60 CO 0.01 -0.24 -0.23 -0.48 0.00 0.00 0.00 175.76 174.81 2h3j s LEU 61 N 1.24 2.05 1.07 0.00 0.05 -1.23 -4.92 118.68 116.94 2h3j s LEU 61 Ca 0.00 -0.42 -0.13 0.00 0.05 0.00 0.00 54.13 53.64 2h3j s LEU 61 Cb -0.14 -1.17 0.23 0.00 -2.05 0.00 0.00 46.19 43.06 2h3j s LEU 61 CO -0.07 0.28 1.07 -0.13 -0.55 0.00 0.00 176.35 176.95 2h3j s ARG 62 N -0.56 -0.14 0.41 1.48 1.81 -1.26 -2.87 118.95 117.82 2h3j s ARG 62 Ca 0.09 0.57 0.08 0.00 -1.72 0.00 0.00 55.73 54.74 2h3j s ARG 62 Cb -0.09 -1.67 0.86 0.00 -0.45 0.00 0.00 34.95 33.60 2h3j s ARG 62 CO -0.01 -3.13 2.03 0.07 -0.68 0.00 0.00 175.30 173.58 2h3j h ARG 63 N -2.19 0.47 -0.05 3.54 0.11 -1.89 -0.23 114.38 114.14 2h3j h ARG 63 Ca -0.58 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.46 2h3j h ARG 63 Cb 1.34 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2h3j h ARG 63 CO 0.56 0.35 0.02 -0.22 0.10 0.00 0.00 179.97 180.77 2h3j h LYS 64 N 0.47 0.08 -0.94 0.08 3.64 -1.97 -1.34 116.57 116.59 2h3j h LYS 64 Ca 0.12 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2h3j h LYS 64 Cb 0.03 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 2h3j h LYS 64 CO -0.02 0.27 0.59 -0.44 -2.27 0.00 0.00 179.45 177.58 2h3j h ASP 65 N -0.12 0.92 -0.69 4.20 5.19 -1.70 -0.36 116.42 123.86 2h3j h ASP 65 Ca 0.02 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2h3j h ASP 65 Cb 0.22 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.52 2h3j h ASP 65 CO -0.00 0.56 0.43 0.25 -3.12 0.00 0.00 179.24 177.36 2h3j h LEU 66 N 1.04 0.70 -0.27 1.55 5.85 -0.88 -1.72 115.31 121.58 2h3j h LEU 66 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2h3j h LEU 66 Cb 0.26 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2h3j h LEU 66 CO -0.20 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.38 2h3j n ALA 67 N -2.32 1.87 0.37 1.25 0.00 -0.24 -2.21 120.51 119.23 2h3j n ALA 67 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2h3j n ALA 67 Cb 0.10 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 2h3j n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3j n LEU 68 N -1.93 0.47 -4.20 0.00 4.77 -0.63 -4.70 117.00 110.77 2h3j n LEU 68 Ca 0.04 -0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 2h3j n LEU 68 Cb 0.27 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.17 2h3j n LEU 68 CO 0.21 0.03 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.09 2h3j s LEU 69 N -4.16 2.63 -0.34 2.23 1.43 -0.72 -0.54 118.68 119.20 2h3j s LEU 69 Ca -0.01 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 2h3j s LEU 69 Cb 0.14 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2h3j s LEU 69 CO 0.85 -0.03 1.24 -0.89 0.23 0.00 0.00 176.35 177.74 2h3j s THR 70 N 1.36 4.21 -0.13 5.49 2.01 -0.50 -4.81 115.64 123.27 2h3j s THR 70 Ca 0.04 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2h3j s THR 70 Cb -0.14 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2h3j s THR 70 CO -0.08 -0.58 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.31 2h3j s LEU 71 N 4.32 2.24 0.07 4.42 1.43 -1.26 -0.47 118.68 129.43 2h3j s LEU 71 Ca 0.53 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2h3j s LEU 71 Cb -0.14 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2h3j s LEU 71 CO 0.23 0.12 -0.15 0.68 0.23 0.00 0.00 176.35 177.46 2h3j s VAL 72 N 0.58 1.20 0.92 -1.59 -7.23 -0.34 -4.94 120.40 108.99 2h3j s VAL 72 Ca -0.12 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 2h3j s VAL 72 Cb -0.16 -1.13 0.14 0.00 0.56 0.00 0.00 36.38 35.79 2h3j s VAL 72 CO 0.04 -0.16 1.10 -2.16 -0.31 0.00 0.00 175.10 173.61 2h3j s PRO 73 N -1.64 1.05 0.19 4.82 0.04 -1.26 0.32 135.00 138.51 2h3j s PRO 73 Ca -0.00 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 2h3j s PRO 73 Cb -0.10 -1.76 0.12 0.00 0.04 0.00 0.00 34.50 32.80 2h3j s PRO 73 CO 0.02 -2.46 1.78 -0.07 0.04 0.00 0.00 177.00 176.31 2h3j h LEU 74 N -1.72 0.91 0.00 -3.56 3.38 -1.90 -3.42 115.31 109.01 2h3j h LEU 74 Ca -0.48 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2h3j h LEU 74 Cb 1.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2h3j h LEU 74 CO 0.50 0.80 0.00 -0.67 0.09 0.00 0.00 178.44 179.15