#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 2.02 -1.34 7.83 1.04 -1.26 -5.08 113.70 116.91 2h3j s SER 2 Ca 0.00 -0.66 -0.16 0.00 0.48 0.00 0.00 55.95 55.61 2h3j s SER 2 Cb 0.00 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.40 2h3j s SER 2 CO 0.00 -0.37 1.88 0.00 0.98 0.00 0.00 173.24 175.72 2h3j n ALA 3 N 5.30 4.22 -3.62 5.32 0.00 -1.26 -4.81 120.51 125.65 2h3j n ALA 3 Ca -0.05 -3.89 -0.14 0.00 0.00 0.00 0.00 53.44 49.37 2h3j n ALA 3 Cb 0.47 -3.54 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2h3j s LEU 4 N 3.36 -0.69 -0.35 0.00 2.34 -1.26 -5.12 118.68 116.96 2h3j s LEU 4 Ca 0.51 1.28 -0.00 0.00 0.06 0.00 0.00 54.13 55.98 2h3j s LEU 4 Cb 0.07 2.37 0.13 0.00 -0.56 0.00 0.00 46.19 48.20 2h3j s LEU 4 CO 0.02 -0.27 0.20 -1.58 -1.06 0.00 0.00 176.35 173.67 2h3j s GLN 5 N 0.20 0.58 0.08 1.48 0.74 -1.26 -5.12 119.66 116.36 2h3j s GLN 5 Ca -0.00 -1.28 -0.31 0.00 0.05 0.00 0.00 55.36 53.82 2h3j s GLN 5 Cb -0.05 -1.40 -0.08 0.00 1.10 0.00 0.00 33.01 32.58 2h3j s GLN 5 CO 0.01 -1.17 1.54 -2.14 -0.55 0.00 0.00 175.29 172.97 2h3j s PRO 6 N 1.15 4.24 -0.03 1.67 0.02 -1.25 -4.78 135.00 136.01 2h3j s PRO 6 Ca 0.17 2.22 -0.00 0.00 0.02 0.00 0.00 61.00 63.41 2h3j s PRO 6 Cb -0.22 -3.44 -0.00 0.00 0.02 0.00 0.00 34.50 30.86 2h3j s PRO 6 CO -0.05 -0.63 0.03 1.03 -0.33 0.00 0.00 177.00 177.06 2h3j h SER 7 N 7.64 -0.01 -5.04 2.53 0.87 -1.84 -3.49 113.55 114.22 2h3j h SER 7 Ca -0.42 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 2h3j h SER 7 Cb 1.20 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.98 2h3j h SER 7 CO 0.91 0.17 -0.28 -0.13 -0.53 0.00 0.00 176.83 176.97 2h3j s ARG 8 N -1.28 0.75 -0.09 2.24 0.52 -1.26 -5.04 118.95 114.78 2h3j s ARG 8 Ca -0.00 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 2h3j s ARG 8 Cb 0.00 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.75 2h3j s ARG 8 CO 0.01 -0.23 0.31 -1.12 0.02 0.00 0.00 175.30 174.29 2h3j s SER 9 N -1.86 6.57 -0.03 0.23 0.01 -1.26 -2.52 113.70 114.83 2h3j s SER 9 Ca -0.07 0.67 0.04 0.00 1.31 0.00 0.00 55.95 57.90 2h3j s SER 9 Cb -0.02 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2h3j s SER 9 CO -0.01 0.24 -0.14 -0.31 0.41 0.00 0.00 173.24 173.43 2h3j s TYR 10 N -0.37 2.71 0.01 2.43 2.02 0.15 -1.34 117.35 122.96 2h3j s TYR 10 Ca 0.19 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.68 2h3j s TYR 10 Cb -0.14 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2h3j s TYR 10 CO 0.07 0.22 0.25 1.03 -1.57 0.00 0.00 175.55 175.56 2h3j s ARG 11 N -0.90 3.55 -0.36 -0.62 0.52 0.18 0.20 118.95 121.53 2h3j s ARG 11 Ca 0.12 -0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 55.07 2h3j s ARG 11 Cb -0.11 -3.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 2h3j s ARG 11 CO 0.02 0.65 0.30 0.42 0.02 0.00 0.00 175.30 176.71 2h3j s ILE 12 N -1.31 5.23 -2.05 1.52 1.01 0.45 -0.39 121.20 125.66 2h3j s ILE 12 Ca 0.28 -0.26 0.21 0.00 0.00 0.00 0.00 60.65 60.87 2h3j s ILE 12 Cb -0.13 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.56 2h3j s ILE 12 CO 0.17 -0.13 1.05 0.35 0.00 0.00 0.00 174.94 176.37 2h3j n THR 13 N 5.18 0.00 -3.98 2.92 -2.24 -0.36 0.12 114.28 115.93 2h3j n THR 13 Ca -0.11 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2h3j n THR 13 Cb 0.49 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3j n GLY 14 N 1.30 -0.65 3.47 3.38 0.00 -1.19 -4.78 105.19 106.71 2h3j n GLY 14 Ca 0.09 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 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 2.36 0.29 1.61 2.02 -1.26 -0.69 117.35 118.68 2h3j s TYR 15 Ca 0.00 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.08 2h3j s TYR 15 Cb 0.00 -1.11 -0.10 0.00 -0.40 0.00 0.00 41.96 40.35 2h3j s TYR 15 CO 0.00 0.59 1.37 0.45 -1.57 0.00 0.00 175.55 176.39 2h3j s SER 16 N -3.04 6.71 0.32 2.29 0.15 0.41 -4.66 113.70 115.88 2h3j s SER 16 Ca 0.25 2.68 0.21 0.00 0.70 0.00 0.00 55.95 59.78 2h3j s SER 16 Cb -0.07 -2.64 1.13 0.00 -1.71 0.00 0.00 66.02 62.74 2h3j s SER 16 CO 0.13 -0.63 1.63 -0.81 1.20 0.00 0.00 173.24 174.76 2h3j n PRO 17 N 1.60 0.13 0.00 5.44 -0.04 -1.26 -1.11 135.00 139.76 2h3j n PRO 17 Ca 0.03 0.63 0.13 0.00 -0.04 0.00 0.00 63.50 64.26 2h3j n PRO 17 Cb 0.41 -1.97 0.61 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.76 2.27 -1.87 0.55 0.00 -1.26 -4.83 120.51 113.61 2h3j n ALA 18 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2h3j n ALA 18 Cb 0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.86 2.53 0.37 0.00 2.07 -0.27 -4.98 121.20 118.06 2h3j s ILE 19 Ca 0.17 0.33 0.05 0.00 -1.41 0.00 0.00 60.65 59.79 2h3j s ILE 19 Cb 0.18 -3.21 -0.03 0.00 0.13 0.00 0.00 42.46 39.53 2h3j s ILE 19 CO 0.46 0.02 0.19 -0.55 -1.91 0.00 0.00 174.94 173.15 2h3j s SER 20 N 1.40 2.26 0.93 4.50 0.15 -1.26 -5.02 113.70 116.66 2h3j s SER 20 Ca 0.72 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2h3j s SER 20 Cb -0.45 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2h3j s SER 20 CO 0.32 -0.98 0.00 -3.20 1.20 0.00 0.00 173.24 170.58 2h3j n ASN 21 N -1.36 -2.51 -1.70 5.45 2.85 -1.26 -3.02 115.26 113.72 2h3j n ASN 21 Ca -0.01 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.39 2h3j n ASN 21 Cb 0.64 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.86 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3j n GLY 22 N 0.00 3.23 0.24 8.20 0.00 -1.26 -4.41 105.19 111.20 2h3j n GLY 22 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 1.64 0.28 -0.81 1.61 3.20 -1.95 -2.10 116.97 118.83 2h3j h TYR 23 Ca 0.25 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.12 2h3j h TYR 23 Cb 1.99 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 40.13 2h3j h TYR 23 CO 0.98 0.40 0.52 -0.09 -1.64 0.00 0.00 178.16 178.32 2h3j h ARG 24 N 0.25 0.99 -0.64 1.82 2.43 -1.78 0.11 114.38 117.56 2h3j h ARG 24 Ca 0.05 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2h3j h ARG 24 Cb 0.39 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2h3j h ARG 24 CO 0.02 0.66 0.05 1.96 -1.51 0.00 0.00 179.97 181.15 2h3j h GLN 25 N 1.02 1.08 -0.59 0.20 4.20 -1.73 0.19 115.11 119.49 2h3j h GLN 25 Ca 0.32 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2h3j h GLN 25 Cb -0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2h3j h GLN 25 CO -0.11 1.02 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.97 2h3j h ARG 26 N 1.00 1.03 -0.33 1.46 2.43 -1.11 -0.54 114.38 118.33 2h3j h ARG 26 Ca 0.19 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 2h3j h ARG 26 Cb 0.50 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2h3j h ARG 26 CO 0.02 1.02 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.39 2h3j h LEU 27 N 0.94 0.60 -0.59 3.80 3.38 -0.38 -0.92 115.31 122.15 2h3j h LEU 27 Ca 0.17 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.84 2h3j h LEU 27 Cb 0.56 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2h3j h LEU 27 CO 0.03 0.80 0.33 0.15 0.09 0.00 0.00 178.44 179.84 2h3j h PHE 28 N 0.40 0.61 -0.34 1.13 3.04 -0.49 0.18 116.94 121.47 2h3j h PHE 28 Ca 0.09 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 2h3j h PHE 28 Cb 0.51 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 2h3j h PHE 28 CO 0.04 0.32 0.04 0.77 -2.02 0.00 0.00 178.31 177.46 2h3j h SER 29 N 0.63 0.46 1.10 0.41 0.02 -0.88 -2.08 113.55 113.21 2h3j h SER 29 Ca 0.25 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2h3j h SER 29 Cb 0.11 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2h3j h SER 29 CO -0.14 0.50 -0.33 0.24 -1.14 0.00 0.00 176.83 175.95 2h3j h MET 30 N 0.49 0.00 0.00 3.45 2.86 -0.07 -3.47 114.93 118.19 2h3j h MET 30 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2h3j h MET 30 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2h3j h MET 30 CO 0.00 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.72 2h3j n GLY 31 N 0.51 1.23 3.36 8.32 0.00 -0.39 -5.07 105.19 113.14 2h3j n GLY 31 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 6.34 0.04 0.99 1.43 0.49 -4.94 118.68 123.03 2h3j s LEU 32 Ca 0.00 -2.47 -0.02 0.00 -1.03 0.00 0.00 54.13 50.60 2h3j s LEU 32 Cb 0.00 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2h3j s LEU 32 CO 0.00 -0.71 0.01 -1.48 0.23 0.00 0.00 176.35 174.41 2h3j s LEU 33 N 0.83 2.18 0.12 1.79 0.05 -1.26 -3.40 118.68 118.98 2h3j s LEU 33 Ca 0.20 -0.69 -0.31 0.00 0.05 0.00 0.00 54.13 53.38 2h3j s LEU 33 Cb -0.10 0.31 -0.09 0.00 -2.05 0.00 0.00 46.19 44.25 2h3j s LEU 33 CO -0.08 -0.48 1.65 -2.84 -0.55 0.00 0.00 176.35 174.06 2h3j s PRO 34 N -2.71 4.19 0.00 1.48 0.02 -1.26 -2.61 135.00 134.10 2h3j s PRO 34 Ca -0.04 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2h3j s PRO 34 Cb -0.01 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2h3j s PRO 34 CO -0.05 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 2h3j n GLY 35 N 3.95 0.87 3.73 0.52 0.00 0.12 -4.97 105.19 109.41 2h3j n GLY 35 Ca 0.15 0.00 -0.24 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 n ALA 36 N -1.64 0.91 -3.20 4.61 0.00 -1.07 -4.94 120.51 115.18 2h3j n ALA 36 Ca 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 53.44 51.19 2h3j n ALA 36 Cb 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 2h3j n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3j s ALA 37 N -2.75 -0.72 -0.06 0.00 0.00 -1.26 -0.41 121.76 116.56 2h3j s ALA 37 Ca 0.37 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2h3j s ALA 37 Cb -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2h3j s ALA 37 CO 0.24 -0.20 -0.12 -0.51 0.00 0.00 0.00 175.76 175.17 2h3j s LEU 38 N -0.68 1.66 -0.29 0.00 1.43 0.13 -4.62 118.68 116.30 2h3j s LEU 38 Ca -0.08 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2h3j s LEU 38 Cb -0.04 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 2h3j s LEU 38 CO 0.02 0.04 0.19 -0.60 0.23 0.00 0.00 176.35 176.23 2h3j s ARG 39 N 0.57 3.81 0.17 1.70 3.52 0.47 0.34 118.95 129.53 2h3j s ARG 39 Ca -0.12 -0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 2h3j s ARG 39 Cb -0.14 -3.66 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 2h3j s ARG 39 CO 0.03 -0.25 1.51 0.54 -0.81 0.00 0.00 175.30 176.32 2h3j s VAL 40 N 1.74 2.74 -0.21 7.11 0.11 -1.05 -0.72 120.40 130.12 2h3j s VAL 40 Ca 0.07 0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 59.51 2h3j s VAL 40 Cb -0.16 -3.35 -0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2h3j s VAL 40 CO 0.10 0.05 -0.20 0.52 -3.33 0.00 0.00 175.10 172.24 2h3j n VAL 41 N 3.61 1.50 -3.67 2.04 0.31 0.17 -3.30 118.33 119.00 2h3j n VAL 41 Ca 0.12 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.27 2h3j n VAL 41 Cb 0.39 -2.16 -0.08 0.00 -0.91 0.00 0.00 33.84 31.09 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 0.72 -0.21 5.55 0.52 -0.81 -4.24 118.95 117.95 2h3j s ARG 42 Ca -0.29 0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.41 2h3j s ARG 42 Cb 0.07 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.89 2h3j s ARG 42 CO 0.44 -0.14 -0.09 0.42 0.02 0.00 0.00 175.30 175.94 2h3j s ILE 43 N -0.25 2.90 0.13 1.52 1.09 -1.26 -0.83 121.20 124.50 2h3j s ILE 43 Ca -0.04 -0.70 -0.33 0.00 -1.10 0.00 0.00 60.65 58.48 2h3j s ILE 43 Cb -0.03 -2.31 -0.13 0.00 -1.06 0.00 0.00 42.46 38.93 2h3j s ILE 43 CO 0.03 0.43 1.69 0.00 -0.10 0.00 0.00 174.94 176.99 2h3j n ALA 44 N 4.73 1.72 0.13 9.38 0.00 -1.26 -4.83 120.51 130.37 2h3j n ALA 44 Ca -0.19 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.66 2h3j n ALA 44 Cb 0.50 -2.44 0.08 0.00 0.00 0.00 0.00 19.45 17.58 2h3j n ALA 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2h3j n PRO 45 N 4.33 0.02 -0.30 0.00 -0.02 -1.26 -1.69 135.00 136.08 2h3j n PRO 45 Ca 0.18 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2h3j n PRO 45 Cb 0.31 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.57 2h3j n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2h3j h LEU 46 N 0.00 0.84 0.00 2.45 -0.00 -2.03 -3.47 115.31 113.10 2h3j h LEU 46 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2h3j h LEU 46 Cb 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2h3j h LEU 46 CO 0.00 0.50 0.00 0.61 -0.00 0.00 0.00 178.44 179.55 2h3j n GLY 47 N -1.40 -1.83 3.42 0.83 0.00 -0.68 -5.12 105.19 100.41 2h3j n GLY 47 Ca 0.15 0.61 0.01 0.00 0.00 0.00 0.00 46.02 46.79 2h3j n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h3j s ASP 48 N -2.80 -0.58 0.00 1.61 -1.08 -1.25 -4.84 116.67 107.73 2h3j s ASP 48 Ca 0.00 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.83 2h3j s ASP 48 Cb 0.00 1.63 0.00 0.00 -1.46 0.00 0.00 42.92 43.09 2h3j s ASP 48 CO 0.00 -0.11 0.00 -0.81 0.52 0.00 0.00 175.17 174.77 2h3j n PRO 49 N 4.89 2.54 -3.48 4.34 -0.04 -1.26 -4.73 135.00 137.25 2h3j n PRO 49 Ca -0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 2h3j n PRO 49 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 2h3j n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2h3j s ILE 50 N -0.19 -0.25 -0.27 0.52 1.01 -0.39 -4.56 121.20 117.08 2h3j s ILE 50 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 2h3j s ILE 50 Cb 0.00 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2h3j s ILE 50 CO 0.00 -0.52 0.71 -1.10 0.00 0.00 0.00 174.94 174.03 2h3j s GLN 51 N 2.25 4.07 0.30 2.79 -0.21 -0.01 -2.14 119.66 126.71 2h3j s GLN 51 Ca 0.09 0.63 0.03 0.00 0.02 0.00 0.00 55.36 56.12 2h3j s GLN 51 Cb -0.15 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 2h3j s GLN 51 CO -0.30 -0.51 0.10 0.14 -2.12 0.00 0.00 175.29 172.60 2h3j s VAL 52 N 2.70 0.66 0.00 1.09 -7.23 0.24 0.46 120.40 118.32 2h3j s VAL 52 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 2h3j s VAL 52 Cb -0.15 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.17 2h3j s VAL 52 CO 0.09 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.16 2h3j s GLU 53 N -3.92 0.15 -0.09 4.82 2.56 0.10 -0.35 118.70 121.98 2h3j s GLU 53 Ca 0.35 -0.13 0.13 0.00 0.00 0.00 0.00 54.97 55.33 2h3j s GLU 53 Cb 0.07 -0.11 0.20 0.00 2.00 0.00 0.00 34.13 36.29 2h3j s GLU 53 CO 0.15 0.03 1.09 -2.37 -0.56 0.00 0.00 175.26 173.59 2h3j n THR 54 N 2.87 1.40 -1.52 -1.70 5.66 -1.25 -0.39 114.28 119.34 2h3j n THR 54 Ca -0.14 -1.65 -0.06 0.00 -3.05 0.00 0.00 64.05 59.15 2h3j n THR 54 Cb 0.59 0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 2h3j n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2h3j n ARG 55 N -1.03 -0.42 0.05 1.09 1.74 -1.26 -4.81 116.66 112.01 2h3j n ARG 55 Ca 0.11 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2h3j n ARG 55 Cb 0.60 -4.32 0.00 0.00 -1.02 0.00 0.00 32.46 27.72 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2h3j n GLN 56 N -2.36 0.00 -3.69 5.56 1.13 -1.26 -5.12 117.38 111.64 2h3j n GLN 56 Ca -0.06 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.88 2h3j n GLN 56 Cb 0.32 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.58 2h3j n GLN 56 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2h3j s THR 57 N -2.00 -0.01 0.07 5.09 2.01 -1.26 -5.14 115.64 114.40 2h3j s THR 57 Ca 0.00 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2h3j s THR 57 Cb 0.00 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 2h3j s THR 57 CO 0.00 0.01 1.09 -0.44 -0.69 0.00 0.00 174.62 174.60 2h3j s SER 58 N 0.78 7.24 0.41 3.53 0.01 -1.26 -3.88 113.70 120.54 2h3j s SER 58 Ca -0.04 1.91 0.05 0.00 1.31 0.00 0.00 55.95 59.18 2h3j s SER 58 Cb -0.05 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 2h3j s SER 58 CO -0.06 -0.33 0.02 -0.76 0.41 0.00 0.00 173.24 172.52 2h3j s LEU 59 N 0.68 2.63 -0.07 2.44 2.01 0.53 -4.94 118.68 121.96 2h3j s LEU 59 Ca 0.54 -1.43 -0.08 0.00 0.01 0.00 0.00 54.13 53.17 2h3j s LEU 59 Cb -0.26 -0.76 0.02 0.00 0.01 0.00 0.00 46.19 45.20 2h3j s LEU 59 CO 0.30 -0.56 0.22 0.00 1.01 0.00 0.00 176.35 177.32 2h3j s ALA 60 N -2.85 -0.54 0.05 4.21 0.00 -1.25 -0.59 121.76 120.78 2h3j s ALA 60 Ca 0.30 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 2h3j s ALA 60 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2h3j s ALA 60 CO 0.15 -0.13 0.18 -0.48 0.00 0.00 0.00 175.76 175.48 2h3j s LEU 61 N -0.15 1.45 0.33 0.00 0.05 -0.91 -4.90 118.68 114.55 2h3j s LEU 61 Ca -0.03 -0.43 0.07 0.00 0.05 0.00 0.00 54.13 53.79 2h3j s LEU 61 Cb -0.03 0.90 -0.02 0.00 -2.05 0.00 0.00 46.19 44.99 2h3j s LEU 61 CO 0.01 -0.57 0.34 -0.13 -0.55 0.00 0.00 176.35 175.45 2h3j s ARG 62 N -2.73 2.86 0.40 1.48 3.00 -1.26 -1.26 118.95 121.43 2h3j s ARG 62 Ca -0.04 -1.20 0.17 0.00 0.00 0.00 0.00 55.73 54.66 2h3j s ARG 62 Cb -0.00 -2.58 1.05 0.00 0.00 0.00 0.00 34.95 33.42 2h3j s ARG 62 CO -0.05 0.11 1.81 0.00 0.00 0.00 0.00 175.30 177.17 2h3j h ARG 63 N 1.16 0.43 -0.11 3.54 3.08 -1.95 0.17 114.38 120.70 2h3j h ARG 63 Ca -0.45 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.58 2h3j h ARG 63 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2h3j h ARG 63 CO 0.57 0.29 0.03 -0.22 -1.07 0.00 0.00 179.97 179.57 2h3j h LYS 64 N 0.45 0.09 -0.10 0.04 3.11 -1.99 0.28 116.57 118.44 2h3j h LYS 64 Ca 0.53 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 58.20 2h3j h LYS 64 Cb 1.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 2h3j h LYS 64 CO -0.24 0.06 -0.64 -0.44 -2.81 0.00 0.00 179.45 175.37 2h3j h ASP 65 N 0.09 0.43 -0.55 4.20 5.19 -1.54 -3.04 116.42 121.20 2h3j h ASP 65 Ca 0.04 -0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 2h3j h ASP 65 Cb 0.02 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 2h3j h ASP 65 CO -0.05 0.95 0.23 0.25 -3.12 0.00 0.00 179.24 177.50 2h3j h LEU 66 N 0.27 0.79 -1.83 1.55 5.85 -0.41 -2.25 115.31 119.27 2h3j h LEU 66 Ca -0.01 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2h3j h LEU 66 Cb 1.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2h3j h LEU 66 CO 0.11 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 2h3j h ALA 67 N 1.40 1.00 -0.01 1.25 0.00 -0.33 -1.81 119.26 120.76 2h3j h ALA 67 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2h3j h ALA 67 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2h3j h ALA 67 CO -0.02 0.00 -0.34 1.28 0.00 0.00 0.00 179.25 180.17 2h3j n LEU 68 N -2.86 1.54 -4.43 0.00 4.77 -0.85 -4.61 117.00 110.56 2h3j n LEU 68 Ca -0.01 -0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 55.13 2h3j n LEU 68 Cb 0.19 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.08 2h3j n LEU 68 CO 0.22 0.28 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.40 2h3j s LEU 69 N -2.46 2.99 -0.33 2.23 1.43 -0.68 -0.44 118.68 121.41 2h3j s LEU 69 Ca 0.22 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 2h3j s LEU 69 Cb 0.19 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.71 2h3j s LEU 69 CO 0.53 0.15 0.72 -0.89 0.23 0.00 0.00 176.35 177.09 2h3j s THR 70 N 0.43 4.83 -0.05 5.49 2.01 0.14 -4.75 115.64 123.75 2h3j s THR 70 Ca -0.07 0.90 0.05 0.00 0.31 0.00 0.00 61.69 62.88 2h3j s THR 70 Cb -0.15 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 2h3j s THR 70 CO 0.04 -0.29 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.73 2h3j s LEU 71 N 2.86 1.94 -0.03 4.42 1.43 -1.26 -1.22 118.68 126.82 2h3j s LEU 71 Ca 0.29 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2h3j s LEU 71 Cb -0.14 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.05 2h3j s LEU 71 CO 0.14 0.17 -0.06 0.68 0.23 0.00 0.00 176.35 177.51 2h3j s VAL 72 N -0.00 0.61 0.93 -1.59 -7.23 0.47 -4.94 120.40 108.65 2h3j s VAL 72 Ca -0.04 -0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 59.81 2h3j s VAL 72 Cb -0.12 -0.59 0.15 0.00 0.56 0.00 0.00 36.38 36.38 2h3j s VAL 72 CO 0.02 0.22 1.09 -2.84 -0.31 0.00 0.00 175.10 173.29 2h3j s PRO 73 N 0.58 0.92 0.45 4.82 0.02 -1.26 0.51 135.00 141.04 2h3j s PRO 73 Ca -0.08 1.03 0.21 0.00 0.02 0.00 0.00 61.00 62.19 2h3j s PRO 73 Cb -0.12 -1.75 1.05 0.00 0.02 0.00 0.00 34.50 33.70 2h3j s PRO 73 CO 0.00 -2.53 1.91 -0.07 -0.33 0.00 0.00 177.00 175.99 2h3j h LEU 74 N -1.77 0.00 0.00 -5.54 3.38 -1.56 -3.43 115.31 106.39 2h3j h LEU 74 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2h3j h LEU 74 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2h3j h LEU 74 CO 0.50 0.24 0.00 -0.67 0.09 0.00 0.00 178.44 178.61