#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3j n SER 2 N 0.00 4.76 -4.29 3.17 7.64 -1.26 -4.85 113.62 118.79 2h3j n SER 2 Ca 0.00 -2.93 -0.44 0.00 1.01 0.00 0.00 58.87 56.51 2h3j n SER 2 Cb 0.00 -1.67 -0.02 0.00 -1.01 0.00 0.00 64.21 61.51 2h3j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h3j s ALA 3 N 3.10 4.50 -0.29 -0.43 0.00 -1.26 -5.02 121.76 122.36 2h3j s ALA 3 Ca 0.49 -3.73 -0.10 0.00 0.00 0.00 0.00 51.96 48.62 2h3j s ALA 3 Cb 0.06 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2h3j s ALA 3 CO 0.02 -2.20 0.15 -1.17 0.00 0.00 0.00 175.76 172.55 2h3j s LEU 4 N -0.97 3.92 -0.33 0.00 2.96 -1.26 -5.02 118.68 117.97 2h3j s LEU 4 Ca 0.27 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2h3j s LEU 4 Cb -0.10 -2.03 0.14 0.00 0.50 0.00 0.00 46.19 44.70 2h3j s LEU 4 CO -0.09 -0.10 0.28 -1.58 -1.32 0.00 0.00 176.35 173.54 2h3j s GLN 5 N 1.67 0.47 0.19 1.98 0.74 -1.26 -5.13 119.66 118.32 2h3j s GLN 5 Ca 0.06 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.41 2h3j s GLN 5 Cb -0.16 -0.92 -0.09 0.00 1.10 0.00 0.00 33.01 32.94 2h3j s GLN 5 CO 0.07 -1.13 1.36 -2.14 -0.55 0.00 0.00 175.29 172.90 2h3j s PRO 6 N 1.67 4.35 0.00 1.67 0.02 -1.26 -4.78 135.00 136.66 2h3j s PRO 6 Ca 0.14 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2h3j s PRO 6 Cb -0.17 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2h3j s PRO 6 CO -0.14 -0.33 0.00 0.45 -0.33 0.00 0.00 177.00 176.65 2h3j n SER 7 N 2.90 0.00 -3.13 2.53 2.88 -1.14 -5.03 113.62 112.64 2h3j n SER 7 Ca 0.08 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.44 2h3j n SER 7 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 2h3j n SER 7 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2h3j n ARG 8 N -0.83 0.75 -5.00 -1.46 1.74 -1.26 -4.96 116.66 105.63 2h3j n ARG 8 Ca 0.00 -2.30 -0.27 0.00 -0.77 0.00 0.00 57.85 54.51 2h3j n ARG 8 Cb 0.00 1.18 -0.16 0.00 -1.02 0.00 0.00 32.46 32.46 2h3j n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2h3j s SER 9 N -2.68 2.43 -0.07 0.55 0.01 -1.26 -1.05 113.70 111.63 2h3j s SER 9 Ca 0.12 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.05 2h3j s SER 9 Cb 0.01 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 2h3j s SER 9 CO 0.09 0.24 -0.22 -0.31 0.41 0.00 0.00 173.24 173.45 2h3j s TYR 10 N -0.36 2.21 0.20 2.43 2.02 0.59 -1.51 117.35 122.93 2h3j s TYR 10 Ca 0.05 -0.76 0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2h3j s TYR 10 Cb -0.09 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 2h3j s TYR 10 CO 0.00 -0.28 0.31 -0.98 -1.57 0.00 0.00 175.55 173.03 2h3j s ARG 11 N 0.13 3.39 -0.32 -0.62 1.70 -0.09 -0.16 118.95 122.98 2h3j s ARG 11 Ca -0.10 -0.71 -0.12 0.00 -0.47 0.00 0.00 55.73 54.33 2h3j s ARG 11 Cb -0.15 -2.90 -0.02 0.00 -0.57 0.00 0.00 34.95 31.31 2h3j s ARG 11 CO 0.05 0.47 0.22 0.42 -1.08 0.00 0.00 175.30 175.38 2h3j s ILE 12 N -1.88 5.19 -0.21 4.99 1.01 0.70 -1.34 121.20 129.66 2h3j s ILE 12 Ca 0.34 -0.17 0.22 0.00 0.00 0.00 0.00 60.65 61.05 2h3j s ILE 12 Cb -0.10 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 2h3j s ILE 12 CO 0.28 0.06 0.93 0.41 0.00 0.00 0.00 174.94 176.62 2h3j n THR 13 N 5.08 0.47 0.00 2.92 -1.04 0.73 -1.24 114.28 121.20 2h3j n THR 13 Ca -0.13 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2h3j n THR 13 Cb 0.50 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2h3j n GLY 14 N 1.21 -0.57 3.37 3.41 0.00 -1.04 -4.72 105.19 106.84 2h3j n GLY 14 Ca -0.01 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 2.11 0.45 1.61 1.51 -1.26 -0.03 117.35 117.74 2h3j s TYR 15 Ca 0.00 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 2h3j s TYR 15 Cb 0.00 -1.09 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 2h3j s TYR 15 CO 0.00 0.37 0.90 -1.12 -1.11 0.00 0.00 175.55 174.59 2h3j s SER 16 N -2.38 6.67 0.40 2.29 0.01 0.60 -4.50 113.70 116.79 2h3j s SER 16 Ca 0.15 1.45 0.28 0.00 1.31 0.00 0.00 55.95 59.14 2h3j s SER 16 Cb -0.08 -2.45 1.43 0.00 0.21 0.00 0.00 66.02 65.13 2h3j s SER 16 CO 0.07 -0.46 1.85 -0.65 0.41 0.00 0.00 173.24 174.46 2h3j h PRO 17 N 1.33 0.00 -0.00 12.44 0.11 -1.95 -2.29 132.00 141.64 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2h3j h PRO 17 CO 0.62 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.27 2h3j n ALA 18 N -1.86 2.76 -2.52 -0.75 0.00 -1.26 -4.85 120.51 112.03 2h3j n ALA 18 Ca -0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 2h3j n ALA 18 Cb 0.09 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.72 5.03 0.49 0.00 2.07 -0.86 -5.07 121.20 120.14 2h3j s ILE 19 Ca 0.22 0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 59.79 2h3j s ILE 19 Cb 0.19 -3.65 -0.05 0.00 0.13 0.00 0.00 42.46 39.09 2h3j s ILE 19 CO 0.53 0.11 0.84 -0.55 -1.91 0.00 0.00 174.94 173.97 2h3j s SER 20 N -2.09 6.36 0.09 4.50 0.15 -1.26 -4.92 113.70 116.52 2h3j s SER 20 Ca 0.40 1.13 -0.20 0.00 0.70 0.00 0.00 55.95 57.98 2h3j s SER 20 Cb -0.13 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.76 2h3j s SER 20 CO 0.21 -0.59 1.62 -1.13 1.20 0.00 0.00 173.24 174.55 2h3j h ASN 21 N 0.46 0.28 -0.55 5.45 -0.73 -1.98 0.81 115.58 119.31 2h3j h ASN 21 Ca -0.46 -0.18 -0.07 0.00 1.87 0.00 0.00 56.30 57.46 2h3j h ASN 21 Cb 1.20 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.69 2h3j h ASN 21 CO 0.62 0.38 0.09 1.23 -0.37 0.00 0.00 177.43 179.39 2h3j h GLY 22 N 0.16 1.03 1.08 1.57 0.00 -1.98 -0.28 103.07 104.64 2h3j h GLY 22 Ca 0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 2h3j h GLY 22 CO -0.00 0.61 0.18 -1.82 0.00 0.00 0.00 176.54 175.50 2h3j h TYR 23 N 0.90 1.20 -0.58 5.60 5.03 -1.90 0.18 116.97 127.39 2h3j h TYR 23 Ca 0.18 -0.14 0.06 0.00 2.58 0.00 0.00 58.73 61.41 2h3j h TYR 23 Cb 0.40 -0.34 -0.05 0.00 1.55 0.00 0.00 36.73 38.29 2h3j h TYR 23 CO 0.03 0.97 0.28 -0.09 -1.32 0.00 0.00 178.16 178.03 2h3j h ARG 24 N 1.08 0.51 -0.07 1.82 2.43 -0.37 0.33 114.38 120.12 2h3j h ARG 24 Ca 0.22 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2h3j h ARG 24 Cb 0.37 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2h3j h ARG 24 CO 0.00 0.34 -0.42 1.96 -1.51 0.00 0.00 179.97 180.34 2h3j h GLN 25 N 0.53 0.15 -0.44 0.20 4.20 -0.23 0.35 115.11 119.87 2h3j h GLN 25 Ca 0.27 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2h3j h GLN 25 Cb 0.21 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2h3j h GLN 25 CO -0.20 0.55 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.14 2h3j h ARG 26 N 0.13 0.96 -0.47 1.46 1.12 -0.05 0.66 114.38 118.19 2h3j h ARG 26 Ca 0.01 -0.44 -0.13 0.00 -1.11 0.00 0.00 59.98 58.31 2h3j h ARG 26 Cb 0.80 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 2h3j h ARG 26 CO 0.06 1.11 -0.20 -0.07 -3.11 0.00 0.00 179.97 177.76 2h3j h LEU 27 N 0.81 0.99 -0.38 3.80 3.38 -0.45 -1.49 115.31 121.98 2h3j h LEU 27 Ca 0.09 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.72 2h3j h LEU 27 Cb 0.86 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2h3j h LEU 27 CO 0.08 1.16 0.08 0.15 0.09 0.00 0.00 178.44 180.00 2h3j h PHE 28 N 0.81 0.14 -0.39 1.13 3.57 -0.17 0.85 116.94 122.88 2h3j h PHE 28 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2h3j h PHE 28 Cb 0.78 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2h3j h PHE 28 CO 0.05 0.03 0.26 0.77 -2.23 0.00 0.00 178.31 177.19 2h3j h SER 29 N 0.21 0.45 0.66 0.41 0.02 -0.61 -0.85 113.55 113.84 2h3j h SER 29 Ca 0.18 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2h3j h SER 29 Cb 0.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2h3j h SER 29 CO -0.23 0.33 -0.38 0.24 -1.14 0.00 0.00 176.83 175.65 2h3j h MET 30 N 0.53 0.00 0.00 3.45 2.86 -0.24 -3.46 114.93 118.07 2h3j h MET 30 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2h3j h MET 30 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2h3j h MET 30 CO -0.03 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.73 2h3j n GLY 31 N -0.00 1.35 3.33 8.32 0.00 -0.32 -5.08 105.19 112.78 2h3j n GLY 31 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 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 6.49 0.08 0.99 1.43 0.19 -4.98 118.68 122.88 2h3j s LEU 32 Ca 0.00 -2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 50.77 2h3j s LEU 32 Cb 0.00 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2h3j s LEU 32 CO 0.00 -0.70 0.01 -1.48 0.23 0.00 0.00 176.35 174.41 2h3j s LEU 33 N 0.81 2.20 0.18 1.79 2.34 -1.26 -3.35 118.68 121.39 2h3j s LEU 33 Ca 0.12 -1.06 -0.32 0.00 0.06 0.00 0.00 54.13 52.94 2h3j s LEU 33 Cb -0.18 0.27 -0.12 0.00 -0.56 0.00 0.00 46.19 45.61 2h3j s LEU 33 CO -0.04 -0.65 1.76 -0.81 -1.06 0.00 0.00 176.35 175.55 2h3j n PRO 34 N 0.03 2.78 0.00 1.48 -0.04 -1.26 -2.85 135.00 135.14 2h3j n PRO 34 Ca -0.11 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2h3j n PRO 34 Cb 0.62 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 4.05 0.99 3.78 0.55 0.00 -0.38 -4.97 105.19 109.21 2h3j n GLY 35 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 3.83 -0.17 4.61 0.00 -1.13 -4.98 121.76 121.91 2h3j s ALA 36 Ca 0.00 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 2h3j s ALA 36 Cb 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.76 2h3j s ALA 36 CO 0.00 -0.21 0.46 0.00 0.00 0.00 0.00 175.76 176.02 2h3j s ALA 37 N -2.67 -1.15 -0.03 0.00 0.00 -1.26 -0.22 121.76 116.43 2h3j s ALA 37 Ca 0.35 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.67 2h3j s ALA 37 Cb 0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2h3j s ALA 37 CO 0.20 -0.22 -0.16 -0.51 0.00 0.00 0.00 175.76 175.07 2h3j s LEU 38 N 0.29 1.93 -0.19 0.00 1.43 0.77 -4.82 118.68 118.09 2h3j s LEU 38 Ca -0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2h3j s LEU 38 Cb -0.03 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2h3j s LEU 38 CO 0.00 0.16 0.15 -0.60 0.23 0.00 0.00 176.35 176.28 2h3j s ARG 39 N -0.06 4.12 0.19 1.70 3.52 -1.16 -0.30 118.95 126.96 2h3j s ARG 39 Ca -0.01 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 2h3j s ARG 39 Cb -0.10 -3.40 -0.08 0.00 -1.56 0.00 0.00 34.95 29.82 2h3j s ARG 39 CO 0.01 0.35 1.20 0.54 -0.81 0.00 0.00 175.30 176.59 2h3j s VAL 40 N 0.22 3.55 -0.18 7.11 0.11 -0.21 -0.89 120.40 130.10 2h3j s VAL 40 Ca 0.09 1.30 -0.07 0.00 -2.93 0.00 0.00 61.98 60.38 2h3j s VAL 40 Cb -0.11 -3.83 -0.09 0.00 -1.53 0.00 0.00 36.38 30.82 2h3j s VAL 40 CO -0.01 0.21 -0.22 0.52 -3.33 0.00 0.00 175.10 172.27 2h3j n VAL 41 N 2.49 1.02 -3.66 2.04 0.31 0.14 -2.87 118.33 117.81 2h3j n VAL 41 Ca 0.04 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.95 2h3j n VAL 41 Cb 0.45 -1.59 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.34 0.73 -0.11 5.55 0.52 -0.36 -4.42 118.95 118.51 2h3j s ARG 42 Ca -0.26 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 55.86 2h3j s ARG 42 Cb 0.09 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.92 2h3j s ARG 42 CO 0.35 -0.10 -0.07 0.42 0.02 0.00 0.00 175.30 175.93 2h3j s ILE 43 N 0.47 0.98 0.29 1.52 1.09 -1.26 -0.47 121.20 123.82 2h3j s ILE 43 Ca -0.01 -0.26 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 2h3j s ILE 43 Cb -0.05 -1.01 -0.10 0.00 -1.06 0.00 0.00 42.46 40.24 2h3j s ILE 43 CO -0.01 0.35 1.32 0.00 -0.10 0.00 0.00 174.94 176.50 2h3j s ALA 44 N 1.73 3.52 0.54 9.38 0.00 -1.24 -4.88 121.76 130.80 2h3j s ALA 44 Ca 0.05 1.22 0.39 0.00 0.00 0.00 0.00 51.96 53.62 2h3j s ALA 44 Cb -0.13 -3.48 2.12 0.00 0.00 0.00 0.00 23.12 21.63 2h3j s ALA 44 CO -0.08 -0.61 2.19 -1.00 0.00 0.00 0.00 175.76 176.27 2h3j h PRO 45 N 4.03 0.00 -0.98 0.00 0.13 -2.00 -1.27 132.00 131.90 2h3j h PRO 45 Ca -0.48 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 2h3j h PRO 45 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2h3j h PRO 45 CO 0.70 0.00 0.63 -0.07 -0.23 0.00 0.00 178.00 179.03 2h3j h LEU 46 N 0.00 0.95 0.00 1.56 -0.00 -2.02 -3.47 115.31 112.34 2h3j h LEU 46 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2h3j h LEU 46 Cb 0.11 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2h3j h LEU 46 CO 0.00 0.56 0.00 0.61 -0.00 0.00 0.00 178.44 179.61 2h3j n GLY 47 N -1.37 -1.04 3.57 0.83 0.00 -0.48 -5.11 105.19 101.60 2h3j n GLY 47 Ca 0.17 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.81 -0.95 0.20 1.61 2.15 -1.25 -4.67 116.67 111.94 2h3j s ASP 48 Ca 0.00 1.32 0.10 0.00 0.43 0.00 0.00 52.55 54.40 2h3j s ASP 48 Cb 0.00 2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 44.62 2h3j s ASP 48 CO 0.00 -0.19 -0.14 -2.16 -0.17 0.00 0.00 175.17 172.52 2h3j s PRO 49 N 2.67 1.89 -0.32 4.34 0.05 -1.26 -4.78 135.00 137.58 2h3j s PRO 49 Ca -0.05 -1.39 0.02 0.00 0.05 0.00 0.00 61.00 59.63 2h3j s PRO 49 Cb -0.10 -2.04 0.09 0.00 0.05 0.00 0.00 34.50 32.50 2h3j s PRO 49 CO -0.18 0.41 0.02 0.42 0.05 0.00 0.00 177.00 177.72 2h3j s ILE 50 N -1.79 2.47 -0.22 0.56 1.01 -0.00 -3.68 121.20 119.55 2h3j s ILE 50 Ca 0.24 -2.01 -0.17 0.00 0.00 0.00 0.00 60.65 58.71 2h3j s ILE 50 Cb -0.08 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2h3j s ILE 50 CO 0.14 -0.40 0.47 -1.10 0.00 0.00 0.00 174.94 174.05 2h3j s GLN 51 N 1.03 4.15 0.21 2.79 -0.21 0.38 -1.99 119.66 126.01 2h3j s GLN 51 Ca 0.03 0.30 -0.01 0.00 0.02 0.00 0.00 55.36 55.71 2h3j s GLN 51 Cb -0.20 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 2h3j s GLN 51 CO -0.06 -0.17 0.13 0.14 -2.12 0.00 0.00 175.29 173.21 2h3j s VAL 52 N 1.72 0.03 -0.07 1.09 -7.23 -0.28 0.28 120.40 115.94 2h3j s VAL 52 Ca 0.21 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2h3j s VAL 52 Cb -0.15 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2h3j s VAL 52 CO 0.09 0.00 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.99 2h3j s GLU 53 N -4.13 2.73 -0.13 4.82 -6.30 -0.07 -0.02 118.70 115.60 2h3j s GLU 53 Ca 0.39 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 52.07 2h3j s GLU 53 Cb 0.07 -2.33 -0.08 0.00 0.00 0.00 0.00 34.13 31.79 2h3j s GLU 53 CO 0.13 0.42 -0.12 2.41 0.02 0.00 0.00 175.26 178.11 2h3j n THR 54 N 2.89 0.73 0.00 -1.70 -1.04 -1.22 -2.96 114.28 110.97 2h3j n THR 54 Ca -0.17 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 2h3j n THR 54 Cb 0.52 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 -2.96 0.00 0.02 -2.82 0.63 -1.26 -4.99 116.66 105.28 2h3j n ARG 55 Ca -0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 2h3j n ARG 55 Cb 0.73 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.64 2h3j n ARG 55 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2h3j n GLN 56 N -0.49 0.00 -4.20 -0.14 0.00 -1.26 -5.12 117.38 106.16 2h3j n GLN 56 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 2h3j n GLN 56 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 30.24 29.68 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 -2.00 0.00 -0.02 1.69 -1.32 -1.26 -5.14 115.64 107.59 2h3j s THR 57 Ca 0.00 -1.88 -0.21 0.00 -1.21 0.00 0.00 61.69 58.39 2h3j s THR 57 Cb 0.00 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.44 2h3j s THR 57 CO 0.00 0.00 0.61 -0.44 -2.21 0.00 0.00 174.62 172.58 2h3j s SER 58 N -3.25 6.97 0.47 8.08 0.01 -1.26 -3.46 113.70 121.27 2h3j s SER 58 Ca 0.37 1.16 0.06 0.00 1.31 0.00 0.00 55.95 58.85 2h3j s SER 58 Cb 0.03 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2h3j s SER 58 CO 0.19 0.06 0.27 -0.76 0.41 0.00 0.00 173.24 173.42 2h3j s LEU 59 N -0.02 2.94 -0.01 2.44 2.01 0.97 -4.88 118.68 122.13 2h3j s LEU 59 Ca 0.32 -1.14 -0.03 0.00 0.01 0.00 0.00 54.13 53.29 2h3j s LEU 59 Cb -0.18 -1.38 -0.00 0.00 0.01 0.00 0.00 46.19 44.64 2h3j s LEU 59 CO 0.17 -0.78 0.07 0.00 1.01 0.00 0.00 176.35 176.81 2h3j s ALA 60 N -2.67 -0.15 0.20 4.21 0.00 -1.25 -1.12 121.76 120.99 2h3j s ALA 60 Ca 0.36 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 2h3j s ALA 60 Cb 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2h3j s ALA 60 CO 0.21 -0.10 0.35 1.47 0.00 0.00 0.00 175.76 177.69 2h3j n LEU 61 N 2.37 0.00 -4.79 0.00 -0.00 -0.84 -4.91 117.00 108.83 2h3j n LEU 61 Ca -0.17 -1.49 -0.22 0.00 -0.00 0.00 0.00 56.01 54.13 2h3j n LEU 61 Cb 0.58 1.75 -0.05 0.00 -0.00 0.00 0.00 43.42 45.69 2h3j n LEU 61 CO 0.22 -0.41 -0.20 -0.13 -0.00 0.00 0.00 177.39 176.87 2h3j s ARG 62 N -2.24 2.78 0.25 1.47 1.81 -1.26 -0.82 118.95 120.93 2h3j s ARG 62 Ca 0.12 -1.15 -0.03 0.00 -1.72 0.00 0.00 55.73 52.95 2h3j s ARG 62 Cb -0.02 -2.47 0.41 0.00 -0.45 0.00 0.00 34.95 32.42 2h3j s ARG 62 CO 0.09 0.38 1.84 0.07 -0.68 0.00 0.00 175.30 176.99 2h3j h ARG 63 N 1.56 0.91 -0.39 3.54 0.11 -1.95 -1.99 114.38 116.18 2h3j h ARG 63 Ca -0.47 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.47 2h3j h ARG 63 Cb 1.24 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 2h3j h ARG 63 CO 0.61 0.60 -0.06 -0.22 0.10 0.00 0.00 179.97 181.00 2h3j h LYS 64 N 0.94 0.73 -0.94 0.08 3.64 -1.98 0.25 116.57 119.29 2h3j h LYS 64 Ca 0.41 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2h3j h LYS 64 Cb 0.30 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2h3j h LYS 64 CO -0.22 0.85 0.62 -0.44 -2.27 0.00 0.00 179.45 178.00 2h3j h ASP 65 N 0.54 1.07 -0.26 4.20 5.19 -1.89 -0.13 116.42 125.14 2h3j h ASP 65 Ca 0.10 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.32 2h3j h ASP 65 Cb 0.56 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 2h3j h ASP 65 CO 0.03 0.77 -0.47 0.25 -3.12 0.00 0.00 179.24 176.70 2h3j h LEU 66 N 1.26 0.90 -1.42 1.55 5.85 -0.97 -3.02 115.31 119.46 2h3j h LEU 66 Ca 0.35 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 2h3j h LEU 66 Cb -0.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 2h3j h LEU 66 CO -0.08 1.22 -0.26 0.00 -0.34 0.00 0.00 178.44 178.98 2h3j h ALA 67 N 0.80 1.25 0.00 1.25 0.00 0.12 -1.13 119.26 121.56 2h3j h ALA 67 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2h3j h ALA 67 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2h3j h ALA 67 CO 0.10 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2h3j n LEU 68 N -3.77 0.00 -4.88 0.00 4.77 -0.12 -4.69 117.00 108.32 2h3j n LEU 68 Ca -0.01 0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.98 2h3j n LEU 68 Cb 0.36 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2h3j n LEU 68 CO 0.35 -0.05 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.47 2h3j s LEU 69 N -2.77 4.40 -0.37 2.23 1.43 -0.43 -0.29 118.68 122.88 2h3j s LEU 69 Ca 0.19 0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 2h3j s LEU 69 Cb 0.17 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2h3j s LEU 69 CO 0.43 0.37 0.86 -0.89 0.23 0.00 0.00 176.35 177.35 2h3j s THR 70 N -1.08 4.65 -0.03 5.49 2.01 0.96 -4.59 115.64 123.04 2h3j s THR 70 Ca 0.18 1.01 0.08 0.00 0.31 0.00 0.00 61.69 63.27 2h3j s THR 70 Cb -0.13 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 2h3j s THR 70 CO 0.07 -0.51 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.48 2h3j s LEU 71 N 3.31 2.05 -0.07 4.42 1.43 -1.26 -0.19 118.68 128.36 2h3j s LEU 71 Ca 0.35 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2h3j s LEU 71 Cb -0.12 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2h3j s LEU 71 CO 0.18 0.30 -0.14 0.68 0.23 0.00 0.00 176.35 177.60 2h3j s VAL 72 N -0.52 1.32 0.74 -1.59 -7.23 -0.45 -4.92 120.40 107.75 2h3j s VAL 72 Ca 0.07 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 2h3j s VAL 72 Cb -0.11 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.68 2h3j s VAL 72 CO -0.00 0.40 1.08 -2.84 -0.31 0.00 0.00 175.10 173.42 2h3j s PRO 73 N 0.65 2.60 0.24 4.82 0.02 -1.26 -0.92 135.00 141.15 2h3j s PRO 73 Ca -0.15 0.77 0.01 0.00 0.02 0.00 0.00 61.00 61.65 2h3j s PRO 73 Cb -0.16 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.67 2h3j s PRO 73 CO 0.04 -1.29 1.61 -0.07 -0.33 0.00 0.00 177.00 176.96 2h3j h LEU 74 N -0.85 0.47 0.00 -5.54 3.38 -1.65 -3.46 115.31 107.66 2h3j h LEU 74 Ca -0.45 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2h3j h LEU 74 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2h3j h LEU 74 CO 0.59 0.85 0.00 -0.67 0.09 0.00 0.00 178.44 179.30