#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 6.07 0.04 7.83 0.15 -1.26 -4.97 113.70 121.56 2h3j s SER 2 Ca 0.00 0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.89 2h3j s SER 2 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2h3j s SER 2 CO 0.00 -1.77 -0.12 0.00 1.20 0.00 0.00 173.24 172.55 2h3j s ALA 3 N 6.23 0.98 -0.68 5.45 0.00 -1.26 -4.93 121.76 127.55 2h3j s ALA 3 Ca 0.51 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 2h3j s ALA 3 Cb -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2h3j s ALA 3 CO 0.23 0.15 0.65 1.28 0.00 0.00 0.00 175.76 178.08 2h3j n LEU 4 N 1.81 -5.16 -4.08 0.00 4.77 -1.26 -4.99 117.00 108.08 2h3j n LEU 4 Ca -0.19 -0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.20 2h3j n LEU 4 Cb 0.55 -2.68 -0.10 0.00 -2.33 0.00 0.00 43.42 38.86 2h3j n LEU 4 CO 0.22 -0.79 -0.02 -1.10 -1.33 0.00 0.00 177.39 174.37 2h3j s GLN 5 N -3.43 2.40 -0.25 3.23 -0.21 -1.26 -5.08 119.66 115.05 2h3j s GLN 5 Ca 0.08 -2.41 -0.29 0.00 0.02 0.00 0.00 55.36 52.76 2h3j s GLN 5 Cb -0.02 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.34 2h3j s GLN 5 CO 0.81 -1.15 1.20 -2.14 -2.12 0.00 0.00 175.29 171.89 2h3j s PRO 6 N 0.13 4.09 0.14 2.91 0.02 -1.26 -4.91 135.00 136.13 2h3j s PRO 6 Ca 0.15 1.35 -0.08 0.00 0.02 0.00 0.00 61.00 62.45 2h3j s PRO 6 Cb -0.21 -3.78 -0.05 0.00 0.02 0.00 0.00 34.50 30.48 2h3j s PRO 6 CO -0.03 -0.88 1.37 0.77 -0.33 0.00 0.00 177.00 177.90 2h3j h SER 7 N 8.43 0.75 -5.04 2.53 0.02 -1.97 -3.47 113.55 114.80 2h3j h SER 7 Ca -0.24 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.17 2h3j h SER 7 Cb 1.09 -0.22 -0.15 0.00 0.14 0.00 0.00 62.40 63.26 2h3j h SER 7 CO 1.01 1.25 -0.01 -0.13 -1.14 0.00 0.00 176.83 177.81 2h3j s ARG 8 N -3.73 1.05 -0.09 3.45 0.52 -1.26 -5.10 118.95 113.78 2h3j s ARG 8 Ca -0.08 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 2h3j s ARG 8 Cb 0.10 0.47 0.00 0.00 0.52 0.00 0.00 34.95 36.04 2h3j s ARG 8 CO 0.88 -0.40 -0.21 -1.12 0.02 0.00 0.00 175.30 174.47 2h3j s SER 9 N -2.35 2.70 -0.03 0.23 0.01 -1.26 -2.42 113.70 110.57 2h3j s SER 9 Ca -0.02 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2h3j s SER 9 Cb 0.00 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 2h3j s SER 9 CO -0.07 0.13 -0.06 -0.31 0.41 0.00 0.00 173.24 173.34 2h3j s TYR 10 N 0.41 2.92 0.07 2.43 1.51 0.49 -2.41 117.35 122.78 2h3j s TYR 10 Ca -0.17 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 2h3j s TYR 10 Cb -0.17 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 2h3j s TYR 10 CO 0.07 0.36 0.01 -0.98 -1.11 0.00 0.00 175.55 173.90 2h3j s ARG 11 N -1.11 2.66 -0.38 -0.62 1.70 0.12 0.38 118.95 121.70 2h3j s ARG 11 Ca 0.15 -0.76 -0.21 0.00 -0.47 0.00 0.00 55.73 54.44 2h3j s ARG 11 Cb -0.11 -2.60 0.01 0.00 -0.57 0.00 0.00 34.95 31.68 2h3j s ARG 11 CO 0.04 0.56 0.68 0.42 -1.08 0.00 0.00 175.30 175.93 2h3j s ILE 12 N -1.27 4.83 -0.92 4.99 1.01 0.87 -0.98 121.20 129.74 2h3j s ILE 12 Ca 0.25 0.54 0.24 0.00 0.00 0.00 0.00 60.65 61.68 2h3j s ILE 12 Cb -0.12 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2h3j s ILE 12 CO 0.17 -0.43 1.32 1.07 0.00 0.00 0.00 174.94 177.07 2h3j n THR 13 N 5.72 0.06 -3.93 2.92 5.66 -0.45 -0.60 114.28 123.65 2h3j n THR 13 Ca -0.00 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2h3j n THR 13 Cb 0.48 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2h3j n GLY 14 N 1.47 -1.24 3.95 1.09 0.00 -1.21 -4.83 105.19 104.41 2h3j n GLY 14 Ca 0.05 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 3.48 0.38 1.61 2.02 -1.26 -0.26 117.35 120.31 2h3j s TYR 15 Ca 0.00 0.16 -0.28 0.00 -0.37 0.00 0.00 57.07 56.58 2h3j s TYR 15 Cb 0.00 -1.71 -0.11 0.00 -0.40 0.00 0.00 41.96 39.74 2h3j s TYR 15 CO 0.00 0.41 1.46 0.45 -1.57 0.00 0.00 175.55 176.30 2h3j n SER 16 N -1.00 3.64 0.14 2.29 2.88 0.49 -4.54 113.62 117.52 2h3j n SER 16 Ca -0.07 1.22 0.11 0.00 -1.33 0.00 0.00 58.87 58.80 2h3j n SER 16 Cb 0.55 -1.60 0.52 0.00 -0.75 0.00 0.00 64.21 62.93 2h3j n SER 16 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2h3j n PRO 17 N 0.41 0.16 -0.45 -1.46 -0.04 -1.26 -1.66 135.00 130.71 2h3j n PRO 17 Ca 0.02 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 2h3j n PRO 17 Cb 0.39 -1.90 0.31 0.00 -0.04 0.00 0.00 33.50 32.25 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h3j n ALA 18 N -1.77 2.69 -1.79 0.55 0.00 -1.26 -4.99 120.51 113.95 2h3j n ALA 18 Ca 0.00 -1.47 -0.36 0.00 0.00 0.00 0.00 53.44 51.61 2h3j n ALA 18 Cb 0.13 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.48 3.85 0.27 0.00 2.07 -0.66 -5.04 121.20 120.21 2h3j s ILE 19 Ca 0.46 1.40 -0.21 0.00 -1.41 0.00 0.00 60.65 60.89 2h3j s ILE 19 Cb 0.27 -3.71 -0.09 0.00 0.13 0.00 0.00 42.46 39.06 2h3j s ILE 19 CO 0.25 -0.01 0.79 -0.44 -1.91 0.00 0.00 174.94 173.63 2h3j s SER 20 N -1.64 7.07 0.22 4.50 0.01 -1.26 -4.96 113.70 117.64 2h3j s SER 20 Ca 0.57 1.51 -0.08 0.00 1.31 0.00 0.00 55.95 59.27 2h3j s SER 20 Cb -0.20 -2.46 0.26 0.00 0.21 0.00 0.00 66.02 63.83 2h3j s SER 20 CO 0.26 -0.05 1.83 0.78 0.41 0.00 0.00 173.24 176.47 2h3j h ASN 21 N 3.10 0.68 -0.15 2.44 4.21 -1.99 -0.70 115.58 123.17 2h3j h ASN 21 Ca -0.48 0.02 -0.10 0.00 1.21 0.00 0.00 56.30 56.95 2h3j h ASN 21 Cb 1.19 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2h3j h ASN 21 CO 0.65 0.45 -0.24 1.23 -1.29 0.00 0.00 177.43 178.23 2h3j h GLY 22 N 0.82 0.65 1.52 2.83 0.00 -1.99 -1.75 103.07 105.16 2h3j h GLY 22 Ca 0.32 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 2h3j h GLY 22 CO -0.16 0.50 -0.25 -0.97 0.00 0.00 0.00 176.54 175.65 2h3j h TYR 23 N 0.53 0.62 -0.83 5.60 0.05 -1.75 0.15 116.97 121.34 2h3j h TYR 23 Ca 0.08 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 2h3j h TYR 23 Cb 0.70 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 2h3j h TYR 23 CO 0.03 0.75 0.38 -0.09 -1.05 0.00 0.00 178.16 178.19 2h3j h ARG 24 N 0.48 1.20 -0.55 4.88 2.43 -0.80 0.24 114.38 122.26 2h3j h ARG 24 Ca 0.07 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2h3j h ARG 24 Cb 0.69 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2h3j h ARG 24 CO 0.05 0.93 -0.04 1.96 -1.51 0.00 0.00 179.97 181.36 2h3j h GLN 25 N 1.18 1.00 -0.42 0.20 4.20 -0.73 0.06 115.11 120.60 2h3j h GLN 25 Ca 0.28 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2h3j h GLN 25 Cb 0.14 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2h3j h GLN 25 CO -0.03 1.02 0.24 -0.09 -0.67 0.00 0.00 178.83 179.30 2h3j h ARG 26 N 0.88 0.58 -0.45 1.46 2.43 -0.27 -0.77 114.38 118.24 2h3j h ARG 26 Ca 0.15 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2h3j h ARG 26 Cb 0.59 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2h3j h ARG 26 CO 0.04 0.45 0.02 -0.07 -1.51 0.00 0.00 179.97 178.90 2h3j h LEU 27 N 0.55 0.77 -0.64 3.80 3.38 -0.32 -0.41 115.31 122.43 2h3j h LEU 27 Ca 0.15 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2h3j h LEU 27 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2h3j h LEU 27 CO -0.03 0.87 0.39 0.15 0.09 0.00 0.00 178.44 179.91 2h3j h PHE 28 N 0.64 0.84 0.00 1.13 3.57 -0.86 0.20 116.94 122.46 2h3j h PHE 28 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2h3j h PHE 28 Cb 0.47 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2h3j h PHE 28 CO 0.04 0.57 -0.33 0.77 -2.23 0.00 0.00 178.31 177.13 2h3j h SER 29 N 0.87 0.00 1.62 0.41 0.02 -0.85 -1.81 113.55 113.81 2h3j h SER 29 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2h3j h SER 29 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2h3j h SER 29 CO -0.04 0.33 0.00 0.24 -1.14 0.00 0.00 176.83 176.21 2h3j h MET 30 N 0.00 0.00 0.00 3.45 2.86 -0.19 -3.47 114.93 117.58 2h3j h MET 30 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2h3j h MET 30 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2h3j h MET 30 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2h3j n GLY 31 N 0.93 1.13 3.30 8.32 0.00 -0.47 -5.06 105.19 113.34 2h3j n GLY 31 Ca 0.04 0.00 -0.45 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 6.23 0.13 0.99 1.43 0.58 -4.99 118.68 123.05 2h3j s LEU 32 Ca 0.00 -1.99 0.04 0.00 -1.03 0.00 0.00 54.13 51.14 2h3j s LEU 32 Cb 0.00 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2h3j s LEU 32 CO 0.00 -0.78 -0.09 -1.48 0.23 0.00 0.00 176.35 174.23 2h3j s LEU 33 N 1.27 2.51 0.18 1.79 2.34 -1.26 -3.78 118.68 121.73 2h3j s LEU 33 Ca 0.06 -0.98 -0.32 0.00 0.06 0.00 0.00 54.13 52.96 2h3j s LEU 33 Cb -0.26 -0.27 -0.11 0.00 -0.56 0.00 0.00 46.19 44.99 2h3j s LEU 33 CO 0.00 -0.35 1.75 -2.84 -1.06 0.00 0.00 176.35 173.85 2h3j s PRO 34 N -3.61 4.13 0.00 1.48 0.02 -1.26 -2.51 135.00 133.25 2h3j s PRO 34 Ca 0.14 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.75 2h3j s PRO 34 Cb 0.02 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2h3j s PRO 34 CO -0.01 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2h3j n GLY 35 N 4.04 1.52 3.97 0.52 0.00 0.23 -4.98 105.19 110.50 2h3j n GLY 35 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.06 3.42 0.00 4.61 0.00 -1.05 -4.86 121.76 121.83 2h3j s ALA 36 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.31 2h3j s ALA 36 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.94 2h3j s ALA 36 CO 0.00 -1.55 0.22 0.00 0.00 0.00 0.00 175.76 174.43 2h3j s ALA 37 N -3.25 -0.54 -0.06 0.00 0.00 -1.26 -0.09 121.76 116.56 2h3j s ALA 37 Ca 0.66 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.70 2h3j s ALA 37 Cb -0.06 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2h3j s ALA 37 CO 0.45 -0.25 -0.14 -0.51 0.00 0.00 0.00 175.76 175.31 2h3j s LEU 38 N -1.46 1.75 -0.18 0.00 1.43 0.16 -4.62 118.68 115.76 2h3j s LEU 38 Ca -0.13 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 2h3j s LEU 38 Cb -0.06 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2h3j s LEU 38 CO 0.02 0.07 0.00 -0.60 0.23 0.00 0.00 176.35 176.07 2h3j s ARG 39 N 0.48 3.71 0.09 1.70 3.52 0.08 -0.38 118.95 128.17 2h3j s ARG 39 Ca -0.12 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 2h3j s ARG 39 Cb -0.15 -3.05 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 2h3j s ARG 39 CO 0.04 0.15 1.77 0.54 -0.81 0.00 0.00 175.30 176.99 2h3j s VAL 40 N 0.64 2.77 -0.23 7.11 0.11 -1.02 0.25 120.40 130.03 2h3j s VAL 40 Ca -0.00 0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 2h3j s VAL 40 Cb -0.14 -3.14 -0.11 0.00 -1.53 0.00 0.00 36.38 31.45 2h3j s VAL 40 CO 0.02 -0.00 -0.23 0.52 -3.33 0.00 0.00 175.10 172.08 2h3j n VAL 41 N 4.80 1.52 -3.71 2.04 0.31 0.13 -4.33 118.33 119.09 2h3j n VAL 41 Ca 0.17 -0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2h3j n VAL 41 Cb 0.39 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.21 2h3j n VAL 41 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2h3j s ARG 42 N -2.54 0.92 -0.06 5.55 0.52 -0.58 -4.69 118.95 118.08 2h3j s ARG 42 Ca -0.33 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2h3j s ARG 42 Cb 0.10 0.40 0.01 0.00 0.52 0.00 0.00 34.95 35.98 2h3j s ARG 42 CO 0.47 -0.32 -0.14 0.42 0.02 0.00 0.00 175.30 175.75 2h3j s ILE 43 N -3.07 1.25 0.38 1.52 1.01 -1.26 -0.94 121.20 120.09 2h3j s ILE 43 Ca -0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2h3j s ILE 43 Cb 0.01 -1.12 -0.10 0.00 0.01 0.00 0.00 42.46 41.27 2h3j s ILE 43 CO -0.07 0.38 1.34 0.00 0.00 0.00 0.00 174.94 176.59 2h3j s ALA 44 N 0.44 3.38 0.02 9.38 0.00 -1.25 -4.88 121.76 128.84 2h3j s ALA 44 Ca -0.11 1.30 0.26 0.00 0.00 0.00 0.00 51.96 53.41 2h3j s ALA 44 Cb -0.14 -3.51 1.42 0.00 0.00 0.00 0.00 23.12 20.89 2h3j s ALA 44 CO 0.03 -0.82 1.79 -1.35 0.00 0.00 0.00 175.76 175.42 2h3j h PRO 45 N 2.94 0.00 0.00 0.00 0.11 -1.94 -0.53 132.00 132.58 2h3j h PRO 45 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2h3j h PRO 45 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2h3j h PRO 45 CO 0.64 0.00 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.58 2h3j h LEU 46 N 0.00 0.00 0.00 2.35 -0.00 -1.98 -3.47 115.31 112.22 2h3j h LEU 46 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2h3j h LEU 46 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2h3j h LEU 46 CO 0.00 0.07 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 2h3j n GLY 47 N 1.27 2.53 3.57 0.83 0.00 -0.21 -5.06 105.19 108.13 2h3j n GLY 47 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.45 1.54 0.00 1.61 1.01 -1.26 -4.88 116.67 113.24 2h3j s ASP 48 Ca 0.00 1.26 0.00 0.00 0.71 0.00 0.00 52.55 54.52 2h3j s ASP 48 Cb 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2h3j s ASP 48 CO 0.00 -3.82 0.00 -2.65 0.21 0.00 0.00 175.17 168.91 2h3j n PRO 49 N -4.64 0.00 -5.04 8.23 -0.01 -1.26 -4.00 135.00 128.29 2h3j n PRO 49 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.26 2h3j n PRO 49 Cb 0.56 0.00 -0.16 0.00 -0.01 0.00 0.00 33.50 33.89 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 0.00 1.68 -0.26 4.25 1.01 -1.17 -3.75 121.20 122.97 2h3j s ILE 50 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 2h3j s ILE 50 Cb 0.00 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2h3j s ILE 50 CO 0.00 0.48 0.79 -1.10 0.00 0.00 0.00 174.94 175.11 2h3j s GLN 51 N -0.38 4.12 0.15 2.79 1.11 -0.12 -3.20 119.66 124.13 2h3j s GLN 51 Ca 0.05 0.80 0.05 0.00 0.01 0.00 0.00 55.36 56.27 2h3j s GLN 51 Cb -0.09 -3.66 -0.04 0.00 -1.01 0.00 0.00 33.01 28.20 2h3j s GLN 51 CO 0.00 -0.54 -0.11 0.14 0.01 0.00 0.00 175.29 174.79 2h3j s VAL 52 N 2.82 1.24 -0.01 1.09 -7.23 0.10 0.17 120.40 118.59 2h3j s VAL 52 Ca 0.33 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2h3j s VAL 52 Cb -0.15 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2h3j s VAL 52 CO 0.09 -0.68 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.31 2h3j s GLU 53 N -3.55 2.24 -0.25 4.82 2.56 0.14 0.42 118.70 125.08 2h3j s GLU 53 Ca 0.16 -0.86 -0.08 0.00 0.00 0.00 0.00 54.97 54.19 2h3j s GLU 53 Cb 0.01 -2.22 -0.16 0.00 2.00 0.00 0.00 34.13 33.76 2h3j s GLU 53 CO 0.02 0.58 -0.16 0.25 -0.56 0.00 0.00 175.26 175.38 2h3j n THR 54 N 2.07 1.55 0.00 -1.70 -2.24 -1.19 -0.74 114.28 112.03 2h3j n THR 54 Ca -0.17 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2h3j n THR 54 Cb 0.52 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2h3j n THR 54 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2h3j n ARG 55 N -3.82 0.00 -0.07 -0.78 0.00 -1.26 -4.89 116.66 105.84 2h3j n ARG 55 Ca -0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.25 2h3j n ARG 55 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.34 2h3j n ARG 55 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2h3j n GLN 56 N 0.00 0.38 -4.57 -0.14 0.00 -1.26 -5.05 117.38 106.74 2h3j n GLN 56 Ca 0.00 0.16 -0.23 0.00 -0.00 0.00 0.00 57.00 56.92 2h3j n GLN 56 Cb 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 30.24 28.95 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2h3j s THR 57 N -2.48 1.42 0.02 1.69 -1.32 -1.26 -5.13 115.64 108.59 2h3j s THR 57 Ca -0.23 -1.05 -0.17 0.00 -1.21 0.00 0.00 61.69 59.03 2h3j s THR 57 Cb 0.06 -1.24 -0.06 0.00 -1.51 0.00 0.00 72.50 69.75 2h3j s THR 57 CO 0.31 0.17 0.48 -0.44 -2.21 0.00 0.00 174.62 172.92 2h3j s SER 58 N -1.03 6.90 0.38 8.08 0.01 -1.26 -3.15 113.70 123.64 2h3j s SER 58 Ca 0.05 1.07 0.07 0.00 1.31 0.00 0.00 55.95 58.45 2h3j s SER 58 Cb -0.08 -2.30 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 2h3j s SER 58 CO 0.01 0.28 -0.01 -0.76 0.41 0.00 0.00 173.24 173.18 2h3j s LEU 59 N -0.97 2.76 -0.06 2.44 1.02 0.17 -4.91 118.68 119.13 2h3j s LEU 59 Ca 0.26 -1.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.05 2h3j s LEU 59 Cb -0.18 -0.85 0.04 0.00 0.02 0.00 0.00 46.19 45.22 2h3j s LEU 59 CO 0.15 -0.42 0.11 0.00 0.02 0.00 0.00 176.35 176.22 2h3j s ALA 60 N -2.77 -0.07 0.06 4.21 0.00 -1.26 0.03 121.76 121.96 2h3j s ALA 60 Ca 0.35 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.85 2h3j s ALA 60 Cb 0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2h3j s ALA 60 CO 0.17 -0.34 -0.19 -0.48 0.00 0.00 0.00 175.76 174.92 2h3j s LEU 61 N 1.71 2.21 0.82 0.00 0.05 -1.19 -4.90 118.68 117.37 2h3j s LEU 61 Ca -0.03 -0.55 -0.07 0.00 0.05 0.00 0.00 54.13 53.53 2h3j s LEU 61 Cb -0.12 -0.82 0.16 0.00 -2.05 0.00 0.00 46.19 43.35 2h3j s LEU 61 CO -0.05 0.09 1.13 -0.13 -0.55 0.00 0.00 176.35 176.84 2h3j s ARG 62 N -1.38 1.23 0.30 1.48 3.00 -1.26 -3.03 118.95 119.29 2h3j s ARG 62 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 55.73 54.97 2h3j s ARG 62 Cb -0.09 -2.13 0.60 0.00 0.00 0.00 0.00 34.95 33.34 2h3j s ARG 62 CO 0.02 -1.86 1.85 0.00 0.00 0.00 0.00 175.30 175.31 2h3j h ARG 63 N -1.00 0.92 0.06 3.54 3.08 -1.96 0.17 114.38 119.19 2h3j h ARG 63 Ca -0.39 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 2h3j h ARG 63 Cb 1.25 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2h3j h ARG 63 CO 0.39 0.61 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.64 2h3j h LYS 64 N 0.94 -0.08 -0.71 0.04 3.64 -1.98 -0.11 116.57 118.31 2h3j h LYS 64 Ca 0.48 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.79 2h3j h LYS 64 Cb 0.51 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2h3j h LYS 64 CO -0.25 0.03 0.16 -0.44 -2.27 0.00 0.00 179.45 176.69 2h3j h ASP 65 N -0.17 1.08 -0.66 4.20 3.32 -1.78 -2.55 116.42 119.86 2h3j h ASP 65 Ca -0.01 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.81 2h3j h ASP 65 Cb 0.15 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2h3j h ASP 65 CO 0.01 1.04 0.44 0.25 -1.72 0.00 0.00 179.24 179.27 2h3j h LEU 66 N 1.08 0.76 -0.54 1.55 5.85 -0.53 -2.23 115.31 121.25 2h3j h LEU 66 Ca 0.22 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2h3j h LEU 66 Cb 0.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2h3j h LEU 66 CO 0.00 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2h3j n ALA 67 N -2.28 1.72 0.09 1.25 0.00 -0.07 -2.11 120.51 119.11 2h3j n ALA 67 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2h3j n ALA 67 Cb 0.02 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 2h3j n ALA 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h3j h LEU 68 N 0.00 0.00 -9.42 0.00 3.38 -1.07 -3.41 115.31 104.79 2h3j h LEU 68 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2h3j h LEU 68 Cb 0.38 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 2h3j h LEU 68 CO 0.00 0.81 -0.58 -0.76 0.09 0.00 0.00 178.44 178.00 2h3j s LEU 69 N -6.61 3.84 -0.38 1.67 1.43 -0.90 -0.38 118.68 117.36 2h3j s LEU 69 Ca 0.02 0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 2h3j s LEU 69 Cb 0.09 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2h3j s LEU 69 CO 0.79 0.37 0.60 -0.89 0.23 0.00 0.00 176.35 177.45 2h3j s THR 70 N -0.97 4.91 -0.11 5.49 2.01 0.65 -4.65 115.64 122.96 2h3j s THR 70 Ca 0.15 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.50 2h3j s THR 70 Cb -0.12 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2h3j s THR 70 CO 0.05 -0.38 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.72 2h3j s LEU 71 N 2.64 2.81 0.01 4.42 1.43 -1.26 -1.34 118.68 127.38 2h3j s LEU 71 Ca 0.22 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2h3j s LEU 71 Cb -0.15 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2h3j s LEU 71 CO 0.16 0.23 -0.14 0.68 0.23 0.00 0.00 176.35 177.51 2h3j s VAL 72 N -0.03 1.09 0.88 -1.59 -7.23 -0.15 -4.95 120.40 108.42 2h3j s VAL 72 Ca -0.03 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 2h3j s VAL 72 Cb -0.14 -0.94 0.12 0.00 0.56 0.00 0.00 36.38 35.99 2h3j s VAL 72 CO 0.04 0.20 1.09 -2.16 -0.31 0.00 0.00 175.10 173.96 2h3j s PRO 73 N -0.61 1.35 0.04 4.82 0.04 -1.26 0.11 135.00 139.49 2h3j s PRO 73 Ca 0.04 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 2h3j s PRO 73 Cb -0.06 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 2h3j s PRO 73 CO 0.00 -2.24 1.38 -0.07 0.04 0.00 0.00 177.00 176.11 2h3j h LEU 74 N -1.55 -0.80 0.00 -3.56 3.38 -1.84 -3.43 115.31 107.51 2h3j h LEU 74 Ca -0.48 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2h3j h LEU 74 Cb 1.27 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2h3j h LEU 74 CO 0.52 -0.53 0.00 0.47 0.09 0.00 0.00 178.44 178.99