#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 4.25 0.43 6.12 0.01 -1.26 -5.11 113.70 118.14 2h3j s SER 2 Ca 0.00 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 2h3j s SER 2 Cb 0.00 -1.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 2h3j s SER 2 CO 0.00 -0.15 0.77 0.00 0.41 0.00 0.00 173.24 174.27 2h3j s ALA 3 N 1.24 3.38 -0.19 1.44 0.00 -1.26 -4.73 121.76 121.64 2h3j s ALA 3 Ca -0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 2h3j s ALA 3 Cb -0.18 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.33 2h3j s ALA 3 CO -0.05 -0.12 0.20 -0.11 0.00 0.00 0.00 175.76 175.68 2h3j n LEU 4 N -1.61 -6.13 -4.05 0.00 0.00 -1.26 -5.04 117.00 98.91 2h3j n LEU 4 Ca 0.02 2.02 -0.28 0.00 0.00 0.00 0.00 56.01 57.77 2h3j n LEU 4 Cb 0.54 -3.14 -0.17 0.00 0.00 0.00 0.00 43.42 40.66 2h3j n LEU 4 CO 0.50 -3.65 -0.49 0.00 0.00 0.00 0.00 177.39 173.75 2h3j s GLN 5 N -0.84 2.15 -0.03 1.96 -2.07 -1.26 -5.09 119.66 114.48 2h3j s GLN 5 Ca -0.23 -0.54 -0.30 0.00 -1.82 0.00 0.00 55.36 52.48 2h3j s GLN 5 Cb 0.02 -1.84 -0.07 0.00 -1.09 0.00 0.00 33.01 30.02 2h3j s GLN 5 CO 0.74 -0.07 1.87 -2.14 -1.32 0.00 0.00 175.29 174.37 2h3j s PRO 6 N 1.01 4.05 -0.06 9.60 0.02 -1.26 -4.88 135.00 143.47 2h3j s PRO 6 Ca -0.06 2.38 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 2h3j s PRO 6 Cb -0.15 -4.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.23 2h3j s PRO 6 CO -0.02 -1.04 -0.16 0.45 -0.33 0.00 0.00 177.00 175.91 2h3j n SER 7 N 7.80 1.15 -4.59 2.53 2.88 -1.26 -5.00 113.62 117.13 2h3j n SER 7 Ca 0.20 0.18 -0.32 0.00 -1.33 0.00 0.00 58.87 57.60 2h3j n SER 7 Cb 0.42 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.26 2h3j n SER 7 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2h3j s ARG 8 N -2.11 2.52 -0.02 -1.46 3.52 -1.26 -4.95 118.95 115.20 2h3j s ARG 8 Ca -0.13 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2h3j s ARG 8 Cb 0.02 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.91 2h3j s ARG 8 CO 0.19 0.60 -0.22 0.45 -0.81 0.00 0.00 175.30 175.51 2h3j s SER 9 N -1.46 2.56 -0.09 -2.12 0.15 -0.92 -1.90 113.70 109.91 2h3j s SER 9 Ca 0.17 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.46 2h3j s SER 9 Cb -0.11 -0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2h3j s SER 9 CO 0.08 0.27 -0.18 -0.31 1.20 0.00 0.00 173.24 174.29 2h3j s TYR 10 N -0.49 2.65 0.21 3.44 2.02 0.80 -0.01 117.35 125.97 2h3j s TYR 10 Ca 0.08 -0.65 0.05 0.00 -0.37 0.00 0.00 57.07 56.18 2h3j s TYR 10 Cb -0.09 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2h3j s TYR 10 CO -0.01 -0.18 0.25 -0.98 -1.57 0.00 0.00 175.55 173.07 2h3j s ARG 11 N 0.02 3.19 -0.32 -0.62 1.70 0.42 0.63 118.95 123.98 2h3j s ARG 11 Ca -0.06 -0.83 -0.09 0.00 -0.47 0.00 0.00 55.73 54.27 2h3j s ARG 11 Cb -0.15 -2.77 -0.00 0.00 -0.57 0.00 0.00 34.95 31.46 2h3j s ARG 11 CO 0.05 0.45 0.15 0.42 -1.08 0.00 0.00 175.30 175.29 2h3j s ILE 12 N -1.93 4.55 -0.48 4.99 1.01 -0.04 -0.82 121.20 128.48 2h3j s ILE 12 Ca 0.33 -0.49 0.23 0.00 0.00 0.00 0.00 60.65 60.73 2h3j s ILE 12 Cb -0.09 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 2h3j s ILE 12 CO 0.27 0.04 1.02 0.35 0.00 0.00 0.00 174.94 176.61 2h3j n THR 13 N 4.97 0.27 -1.44 2.92 -2.24 -0.57 0.19 114.28 118.38 2h3j n THR 13 Ca -0.14 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2h3j n THR 13 Cb 0.49 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.31 -0.55 3.42 3.38 0.00 -1.16 -4.79 105.19 106.81 2h3j n GLY 14 Ca 0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.62 2.31 0.29 1.61 1.51 -1.26 -0.62 117.35 117.58 2h3j s TYR 15 Ca 0.00 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 2h3j s TYR 15 Cb 0.00 -1.17 -0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2h3j s TYR 15 CO 0.00 0.47 1.30 -1.12 -1.11 0.00 0.00 175.55 175.09 2h3j s SER 16 N -2.54 6.83 0.00 2.29 0.01 0.29 -4.60 113.70 115.98 2h3j s SER 16 Ca 0.19 2.60 0.03 0.00 1.31 0.00 0.00 55.95 60.08 2h3j s SER 16 Cb -0.08 -2.64 0.18 0.00 0.21 0.00 0.00 66.02 63.69 2h3j s SER 16 CO 0.09 -0.51 0.53 -0.81 0.41 0.00 0.00 173.24 172.94 2h3j n PRO 17 N 1.32 0.30 -0.20 12.44 -0.04 -1.26 -1.36 135.00 146.20 2h3j n PRO 17 Ca 0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2h3j n PRO 17 Cb 0.42 -1.16 0.19 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.66 2.31 -2.72 0.55 0.00 -1.26 -4.95 120.51 113.78 2h3j n ALA 18 Ca 0.02 -1.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.02 2h3j n ALA 18 Cb 0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.08 5.32 0.00 0.00 2.07 -0.47 -5.04 121.20 122.00 2h3j s ILE 19 Ca 0.31 0.48 0.00 0.00 -1.41 0.00 0.00 60.65 60.03 2h3j s ILE 19 Cb 0.17 -3.58 0.00 0.00 0.13 0.00 0.00 42.46 39.18 2h3j s ILE 19 CO 0.23 0.46 0.00 -0.24 -1.91 0.00 0.00 174.94 173.47 2h3j n SER 20 N 3.10 0.00 -0.66 4.50 2.88 -1.26 -4.88 113.62 117.29 2h3j n SER 20 Ca -0.14 -0.15 -0.09 0.00 -1.33 0.00 0.00 58.87 57.16 2h3j n SER 20 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2h3j n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2h3j n ASN 21 N -0.20 -4.68 0.00 -3.46 2.85 -1.26 -1.59 115.26 106.91 2h3j n ASN 21 Ca 0.00 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 2h3j n ASN 21 Cb 0.00 -2.94 0.00 0.00 1.24 0.00 0.00 39.78 38.08 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 -1.07 0.79 0.22 8.20 0.00 -1.26 -4.88 105.19 107.19 2h3j n GLY 22 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.61 1.61 3.20 -1.68 -1.44 116.97 118.06 2h3j h TYR 23 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2h3j h TYR 23 Cb 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2h3j h TYR 23 CO 0.00 0.23 0.19 -0.09 -1.64 0.00 0.00 178.16 176.86 2h3j h ARG 24 N 0.00 0.94 -0.11 1.82 2.43 -1.90 0.63 114.38 118.19 2h3j h ARG 24 Ca -0.00 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 58.85 2h3j h ARG 24 Cb 0.49 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2h3j h ARG 24 CO 0.03 0.84 -0.45 1.96 -1.51 0.00 0.00 179.97 180.84 2h3j h GLN 25 N 0.87 0.27 -0.50 0.20 4.20 -1.71 0.12 115.11 118.57 2h3j h GLN 25 Ca 0.20 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2h3j h GLN 25 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2h3j h GLN 25 CO -0.01 0.68 0.15 -0.09 -0.67 0.00 0.00 178.83 178.89 2h3j h ARG 26 N 0.22 0.78 -0.32 1.46 2.43 -0.78 0.16 114.38 118.34 2h3j h ARG 26 Ca 0.02 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2h3j h ARG 26 Cb 0.89 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2h3j h ARG 26 CO 0.07 0.73 0.09 -0.07 -1.51 0.00 0.00 179.97 179.28 2h3j h LEU 27 N 0.68 0.47 -0.56 3.80 3.38 -0.58 -1.51 115.31 121.00 2h3j h LEU 27 Ca 0.16 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2h3j h LEU 27 Cb 0.28 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2h3j h LEU 27 CO -0.00 0.57 0.28 0.15 0.09 0.00 0.00 178.44 179.52 2h3j h PHE 28 N 0.36 0.51 -0.27 1.13 3.04 -0.55 0.21 116.94 121.36 2h3j h PHE 28 Ca 0.10 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 2h3j h PHE 28 Cb 0.27 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2h3j h PHE 28 CO 0.01 0.24 0.00 0.77 -2.02 0.00 0.00 178.31 177.31 2h3j h SER 29 N 0.53 0.38 0.95 0.41 0.02 -0.49 -1.50 113.55 113.85 2h3j h SER 29 Ca 0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2h3j h SER 29 Cb 0.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2h3j h SER 29 CO -0.18 0.44 -0.09 0.23 -1.14 0.00 0.00 176.83 176.08 2h3j n MET 30 N -4.32 0.02 0.00 3.45 2.81 -0.53 -4.90 117.12 113.65 2h3j n MET 30 Ca 0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2h3j n MET 30 Cb 0.21 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2h3j n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2h3j n GLY 31 N 1.48 0.95 3.40 3.03 0.00 -0.33 -5.04 105.19 108.68 2h3j n GLY 31 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 5.74 0.09 0.99 1.43 0.58 -4.96 118.68 122.54 2h3j s LEU 32 Ca 0.00 -2.23 0.02 0.00 -1.03 0.00 0.00 54.13 50.89 2h3j s LEU 32 Cb 0.00 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2h3j s LEU 32 CO 0.00 -0.88 -0.07 -1.48 0.23 0.00 0.00 176.35 174.15 2h3j s LEU 33 N 1.72 2.46 0.04 1.79 0.05 -1.26 -3.25 118.68 120.23 2h3j s LEU 33 Ca 0.25 -0.91 -0.30 0.00 0.05 0.00 0.00 54.13 53.22 2h3j s LEU 33 Cb -0.09 -0.10 -0.07 0.00 -2.05 0.00 0.00 46.19 43.88 2h3j s LEU 33 CO -0.08 -0.41 1.63 -2.16 -0.55 0.00 0.00 176.35 174.79 2h3j s PRO 34 N -3.35 4.20 0.00 1.48 0.04 -1.26 -2.54 135.00 133.57 2h3j s PRO 34 Ca 0.07 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2h3j s PRO 34 Cb 0.02 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2h3j s PRO 34 CO -0.04 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2h3j n GLY 35 N 4.00 1.16 1.01 0.56 0.00 0.13 -4.96 105.19 107.09 2h3j n GLY 35 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.34 0.22 -3.52 4.61 0.00 -1.05 -4.89 120.51 115.53 2h3j n ALA 36 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.73 2h3j n ALA 36 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.43 -1.77 -0.02 0.00 0.00 -1.26 -0.86 121.76 115.41 2h3j s ALA 37 Ca 0.16 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.52 2h3j s ALA 37 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2h3j s ALA 37 CO 0.11 -0.37 -0.19 -0.51 0.00 0.00 0.00 175.76 174.80 2h3j s LEU 38 N -1.14 2.01 -0.19 0.00 1.43 0.21 -4.67 118.68 116.32 2h3j s LEU 38 Ca -0.11 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2h3j s LEU 38 Cb -0.00 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 2h3j s LEU 38 CO 0.10 0.21 -0.05 -0.60 0.23 0.00 0.00 176.35 176.24 2h3j s ARG 39 N -0.31 3.46 0.15 1.70 3.52 -0.73 -0.14 118.95 126.61 2h3j s ARG 39 Ca 0.04 -0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 54.72 2h3j s ARG 39 Cb -0.09 -2.92 -0.11 0.00 -1.56 0.00 0.00 34.95 30.27 2h3j s ARG 39 CO 0.00 -0.02 1.72 0.54 -0.81 0.00 0.00 175.30 176.74 2h3j s VAL 40 N 1.01 2.43 -0.23 7.11 0.11 -0.80 -0.28 120.40 129.74 2h3j s VAL 40 Ca 0.00 0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.09 2h3j s VAL 40 Cb -0.15 -3.10 -0.10 0.00 -1.53 0.00 0.00 36.38 31.50 2h3j s VAL 40 CO 0.00 0.01 -0.31 0.52 -3.33 0.00 0.00 175.10 171.99 2h3j n VAL 41 N 4.33 1.34 -3.56 2.04 0.31 0.11 -4.16 118.33 118.73 2h3j n VAL 41 Ca 0.16 -0.29 -0.06 0.00 -0.01 0.00 0.00 64.34 64.14 2h3j n VAL 41 Cb 0.37 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 2h3j n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3j s ARG 42 N -2.47 0.62 0.01 5.55 1.70 -0.56 -4.82 118.95 118.98 2h3j s ARG 42 Ca -0.33 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 54.71 2h3j s ARG 42 Cb 0.12 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 2h3j s ARG 42 CO 0.42 -0.27 -0.07 0.42 -1.08 0.00 0.00 175.30 174.71 2h3j s ILE 43 N -2.82 0.55 0.37 4.99 1.01 -1.26 -0.76 121.20 123.27 2h3j s ILE 43 Ca 0.08 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 2h3j s ILE 43 Cb -0.01 -0.51 -0.09 0.00 0.01 0.00 0.00 42.46 41.86 2h3j s ILE 43 CO -0.06 -0.02 1.22 0.00 0.00 0.00 0.00 174.94 176.08 2h3j s ALA 44 N -0.54 3.28 -1.11 9.38 0.00 -1.24 -4.91 121.76 126.63 2h3j s ALA 44 Ca -0.01 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.12 2h3j s ALA 44 Cb -0.05 -3.42 0.40 0.00 0.00 0.00 0.00 23.12 20.05 2h3j s ALA 44 CO 0.00 -0.57 1.25 -2.30 0.00 0.00 0.00 175.76 174.14 2h3j n PRO 45 N 0.39 0.03 0.00 0.00 -0.02 -1.26 -3.83 135.00 130.31 2h3j n PRO 45 Ca 0.03 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2h3j n PRO 45 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.45 0.13 0.00 2.45 7.99 -1.26 -4.98 117.00 119.89 2h3j n LEU 46 Ca 0.03 0.05 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 2h3j n LEU 46 Cb 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2h3j n LEU 46 CO 0.08 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.57 2h3j n GLY 47 N 0.80 0.11 3.39 -0.72 0.00 -1.25 -5.13 105.19 102.40 2h3j n GLY 47 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2h3j n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2h3j s ASP 48 N -2.17 -0.08 0.21 1.61 -4.77 -1.26 -4.76 116.67 105.44 2h3j s ASP 48 Ca 0.00 0.12 0.06 0.00 -3.30 0.00 0.00 52.55 49.43 2h3j s ASP 48 Cb 0.00 1.07 -0.04 0.00 -1.09 0.00 0.00 42.92 42.86 2h3j s ASP 48 CO 0.00 -0.02 0.18 -2.16 0.70 0.00 0.00 175.17 173.87 2h3j s PRO 49 N 1.62 2.94 -0.30 2.11 0.05 -1.26 -4.46 135.00 135.70 2h3j s PRO 49 Ca -0.03 -0.96 0.03 0.00 0.05 0.00 0.00 61.00 60.09 2h3j s PRO 49 Cb -0.02 -2.62 0.08 0.00 0.05 0.00 0.00 34.50 32.00 2h3j s PRO 49 CO -0.13 0.44 -0.02 0.42 0.05 0.00 0.00 177.00 177.75 2h3j s ILE 50 N -1.96 2.26 -0.29 0.56 1.09 0.42 -3.73 121.20 119.54 2h3j s ILE 50 Ca 0.32 -1.99 -0.22 0.00 -1.10 0.00 0.00 60.65 57.66 2h3j s ILE 50 Cb -0.09 -2.51 -0.01 0.00 -1.06 0.00 0.00 42.46 38.80 2h3j s ILE 50 CO 0.24 -0.32 0.69 -1.10 -0.10 0.00 0.00 174.94 174.36 2h3j s GLN 51 N 1.00 3.97 0.31 2.79 1.11 0.06 -2.39 119.66 126.51 2h3j s GLN 51 Ca 0.01 0.47 0.03 0.00 0.01 0.00 0.00 55.36 55.88 2h3j s GLN 51 Cb -0.20 -3.71 -0.05 0.00 -1.01 0.00 0.00 33.01 28.05 2h3j s GLN 51 CO -0.06 -0.58 0.11 0.14 0.01 0.00 0.00 175.29 174.91 2h3j s VAL 52 N 2.72 0.62 -0.11 1.09 -7.23 0.14 0.08 120.40 117.72 2h3j s VAL 52 Ca 0.28 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2h3j s VAL 52 Cb -0.15 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2h3j s VAL 52 CO 0.11 0.00 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.01 2h3j s GLU 53 N -3.90 3.11 -0.12 4.82 2.12 0.61 -0.07 118.70 125.27 2h3j s GLU 53 Ca 0.35 -0.80 0.10 0.00 0.36 0.00 0.00 54.97 54.98 2h3j s GLU 53 Cb 0.06 -2.41 0.50 0.00 0.26 0.00 0.00 34.13 32.54 2h3j s GLU 53 CO 0.15 0.23 1.30 0.25 -0.54 0.00 0.00 175.26 176.65 2h3j n THR 54 N 3.43 1.51 -1.60 -1.70 -2.24 -0.72 -1.76 114.28 111.20 2h3j n THR 54 Ca -0.18 -0.83 -0.18 0.00 -2.27 0.00 0.00 64.05 60.59 2h3j n THR 54 Cb 0.53 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.50 -1.24 0.12 -0.78 0.00 -1.26 -4.68 116.66 109.32 2h3j n ARG 55 Ca 0.17 1.09 0.00 0.00 -0.00 0.00 0.00 57.85 59.11 2h3j n ARG 55 Cb 0.75 -5.36 0.00 0.00 0.00 0.00 0.00 32.46 27.86 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 -2.51 0.00 -4.18 -0.14 0.00 -1.26 -5.15 117.38 104.13 2h3j n GLN 56 Ca -0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.67 2h3j n GLN 56 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.75 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 -1.76 0.00 0.26 1.69 -1.32 -1.26 -5.15 115.64 108.10 2h3j s THR 57 Ca 0.00 -1.85 -0.24 0.00 -1.21 0.00 0.00 61.69 58.38 2h3j s THR 57 Cb 0.00 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 2h3j s THR 57 CO 0.00 0.00 0.85 -0.44 -2.21 0.00 0.00 174.62 172.82 2h3j s SER 58 N -3.23 7.28 0.02 8.08 0.01 -1.26 -1.75 113.70 122.84 2h3j s SER 58 Ca 0.36 1.68 0.03 0.00 1.31 0.00 0.00 55.95 59.33 2h3j s SER 58 Cb 0.03 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2h3j s SER 58 CO 0.18 0.02 -0.09 -0.22 0.41 0.00 0.00 173.24 173.55 2h3j s LEU 59 N -1.83 2.13 -0.01 2.44 2.96 0.90 -4.95 118.68 120.32 2h3j s LEU 59 Ca 0.45 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2h3j s LEU 59 Cb -0.19 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 2h3j s LEU 59 CO 0.24 -0.02 -0.09 0.00 -1.32 0.00 0.00 176.35 175.16 2h3j s ALA 60 N -0.72 0.75 0.37 5.97 0.00 -1.25 0.25 121.76 127.13 2h3j s ALA 60 Ca -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 2h3j s ALA 60 Cb -0.06 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2h3j s ALA 60 CO 0.00 0.18 0.66 -0.48 0.00 0.00 0.00 175.76 176.12 2h3j s LEU 61 N -0.18 0.45 0.42 0.00 0.05 -1.01 -4.91 118.68 113.50 2h3j s LEU 61 Ca 0.03 -1.30 0.07 0.00 0.05 0.00 0.00 54.13 52.98 2h3j s LEU 61 Cb -0.04 2.26 -0.06 0.00 -2.05 0.00 0.00 46.19 46.30 2h3j s LEU 61 CO -0.00 -1.53 0.13 -0.13 -0.55 0.00 0.00 176.35 174.27 2h3j s ARG 62 N -2.61 2.15 0.32 1.48 1.81 -1.26 -0.44 118.95 120.40 2h3j s ARG 62 Ca 0.22 -1.95 0.01 0.00 -1.72 0.00 0.00 55.73 52.30 2h3j s ARG 62 Cb -0.03 -1.87 0.55 0.00 -0.45 0.00 0.00 34.95 33.14 2h3j s ARG 62 CO 0.15 -0.12 1.92 0.07 -0.68 0.00 0.00 175.30 176.64 2h3j h ARG 63 N 1.50 0.77 -0.47 3.54 0.11 -1.98 -0.41 114.38 117.44 2h3j h ARG 63 Ca -0.43 -0.11 0.03 0.00 0.10 0.00 0.00 59.98 59.57 2h3j h ARG 63 Cb 1.25 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.16 2h3j h ARG 63 CO 0.73 0.62 0.26 -0.22 0.10 0.00 0.00 179.97 181.46 2h3j h LYS 64 N 0.76 0.50 -0.21 0.08 3.11 -1.96 0.27 116.57 119.13 2h3j h LYS 64 Ca 0.19 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.82 2h3j h LYS 64 Cb 0.13 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2h3j h LYS 64 CO -0.02 0.33 -0.60 -0.44 -2.81 0.00 0.00 179.45 175.92 2h3j h ASP 65 N 0.52 0.76 -0.10 4.20 3.32 -1.87 -3.09 116.42 120.16 2h3j h ASP 65 Ca 0.20 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 2h3j h ASP 65 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2h3j h ASP 65 CO -0.11 1.18 -0.07 0.25 -1.72 0.00 0.00 179.24 178.77 2h3j h LEU 66 N 0.51 0.36 -1.22 1.55 5.85 -0.54 -2.12 115.31 119.69 2h3j h LEU 66 Ca -0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2h3j h LEU 66 Cb 1.17 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2h3j h LEU 66 CO 0.12 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 2h3j h ALA 67 N 1.57 1.00 -0.00 1.25 0.00 -0.39 -2.25 119.26 120.45 2h3j h ALA 67 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2h3j h ALA 67 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2h3j h ALA 67 CO 0.02 0.00 -0.33 1.28 0.00 0.00 0.00 179.25 180.22 2h3j n LEU 68 N -2.83 0.66 -4.79 0.00 4.77 -0.80 -4.72 117.00 109.29 2h3j n LEU 68 Ca 0.01 -0.06 -0.35 0.00 -0.03 0.00 0.00 56.01 55.58 2h3j n LEU 68 Cb 0.28 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2h3j n LEU 68 CO 0.25 0.14 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.45 2h3j s LEU 69 N -2.75 3.99 -0.35 2.23 1.43 -0.85 -0.55 118.68 121.83 2h3j s LEU 69 Ca 0.18 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.39 2h3j s LEU 69 Cb 0.19 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2h3j s LEU 69 CO 0.59 0.36 0.39 -0.89 0.23 0.00 0.00 176.35 177.03 2h3j s THR 70 N -1.04 5.14 -0.06 5.49 2.01 0.21 -4.59 115.64 122.81 2h3j s THR 70 Ca 0.17 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.24 2h3j s THR 70 Cb -0.12 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2h3j s THR 70 CO 0.07 -0.15 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.86 2h3j s LEU 71 N 2.07 2.02 -0.08 4.42 1.43 -1.26 -1.52 118.68 125.76 2h3j s LEU 71 Ca 0.12 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2h3j s LEU 71 Cb -0.17 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2h3j s LEU 71 CO 0.12 0.21 -0.13 0.68 0.23 0.00 0.00 176.35 177.46 2h3j s VAL 72 N -0.07 1.25 0.92 -1.59 -7.23 0.00 -4.94 120.40 108.75 2h3j s VAL 72 Ca -0.05 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 2h3j s VAL 72 Cb -0.13 -1.14 0.15 0.00 0.56 0.00 0.00 36.38 35.81 2h3j s VAL 72 CO 0.04 0.38 1.10 -2.16 -0.31 0.00 0.00 175.10 174.15 2h3j s PRO 73 N 0.77 1.00 0.00 4.82 0.04 -1.26 -0.44 135.00 139.93 2h3j s PRO 73 Ca -0.12 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2h3j s PRO 73 Cb -0.16 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2h3j s PRO 73 CO 0.02 -2.50 0.00 1.28 0.04 0.00 0.00 177.00 175.84 2h3j n LEU 74 N -4.10 0.14 0.00 -3.56 4.77 0.99 -4.66 117.00 110.58 2h3j n LEU 74 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2h3j n LEU 74 Cb 0.54 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2h3j n LEU 74 CO 0.54 -0.41 0.00 0.47 -1.33 0.00 0.00 177.39 176.66