#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 6.19 -0.40 6.12 0.01 -1.26 -4.98 113.70 119.38 2h3j s SER 2 Ca 0.00 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2h3j s SER 2 Cb 0.00 -2.23 0.15 0.00 0.21 0.00 0.00 66.02 64.16 2h3j s SER 2 CO 0.00 -0.66 0.28 0.00 0.41 0.00 0.00 173.24 173.28 2h3j s ALA 3 N 2.12 1.38 0.10 1.44 0.00 -1.26 -5.10 121.76 120.44 2h3j s ALA 3 Ca 0.11 -2.28 -0.13 0.00 0.00 0.00 0.00 51.96 49.65 2h3j s ALA 3 Cb -0.19 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.30 2h3j s ALA 3 CO 0.12 -2.04 0.32 -0.48 0.00 0.00 0.00 175.76 173.68 2h3j s LEU 4 N 0.43 0.79 -0.40 0.00 2.34 -1.26 -5.03 118.68 115.55 2h3j s LEU 4 Ca 0.25 -0.41 0.03 0.00 0.06 0.00 0.00 54.13 54.06 2h3j s LEU 4 Cb -0.10 1.52 0.16 0.00 -0.56 0.00 0.00 46.19 47.22 2h3j s LEU 4 CO -0.09 -0.78 0.33 -1.58 -1.06 0.00 0.00 176.35 173.16 2h3j s GLN 5 N -3.67 0.80 -0.61 1.48 2.00 0.14 -5.02 119.66 114.79 2h3j s GLN 5 Ca 0.03 -1.77 -0.24 0.00 -2.00 0.00 0.00 55.36 51.37 2h3j s GLN 5 Cb 0.03 -1.26 0.05 0.00 0.80 0.00 0.00 33.01 32.63 2h3j s GLN 5 CO -0.11 -1.33 1.01 -1.25 -0.50 0.00 0.00 175.29 173.12 2h3j s PRO 6 N 0.45 3.26 -0.03 1.67 0.05 -1.25 -3.96 135.00 135.18 2h3j s PRO 6 Ca 0.28 -0.39 -0.03 0.00 0.05 0.00 0.00 61.00 60.91 2h3j s PRO 6 Cb -0.04 -4.12 -0.01 0.00 0.05 0.00 0.00 34.50 30.38 2h3j s PRO 6 CO -0.13 -1.69 -0.06 0.43 0.05 0.00 0.00 177.00 175.61 2h3j n SER 7 N 7.87 0.39 -3.91 6.66 7.64 -1.26 -5.05 113.62 125.96 2h3j n SER 7 Ca 0.01 0.19 -0.18 0.00 1.01 0.00 0.00 58.87 59.90 2h3j n SER 7 Cb 0.47 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2h3j s ARG 8 N -1.33 1.56 -0.10 1.43 1.81 -1.26 -5.04 118.95 116.00 2h3j s ARG 8 Ca -0.05 -1.88 0.01 0.00 -1.72 0.00 0.00 55.73 52.09 2h3j s ARG 8 Cb 0.01 0.04 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 2h3j s ARG 8 CO 0.07 -0.48 -0.12 -1.12 -0.68 0.00 0.00 175.30 172.97 2h3j s SER 9 N -3.34 4.11 -0.17 0.23 0.01 -1.26 -2.13 113.70 111.15 2h3j s SER 9 Ca 0.37 -0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.35 2h3j s SER 9 Cb 0.05 -1.38 -0.02 0.00 0.21 0.00 0.00 66.02 64.88 2h3j s SER 9 CO 0.18 0.23 -0.07 -0.31 0.41 0.00 0.00 173.24 173.69 2h3j s TYR 10 N -0.03 2.94 0.08 2.43 2.02 0.54 -0.93 117.35 124.41 2h3j s TYR 10 Ca -0.03 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 2h3j s TYR 10 Cb -0.14 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2h3j s TYR 10 CO 0.04 -0.24 0.28 -0.98 -1.57 0.00 0.00 175.55 173.07 2h3j s ARG 11 N 0.69 3.52 -0.28 -0.62 1.70 0.18 0.38 118.95 124.52 2h3j s ARG 11 Ca -0.03 -0.26 -0.20 0.00 -0.47 0.00 0.00 55.73 54.76 2h3j s ARG 11 Cb -0.15 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.24 2h3j s ARG 11 CO 0.02 0.56 0.61 0.42 -1.08 0.00 0.00 175.30 175.84 2h3j s ILE 12 N -1.54 4.97 -0.82 4.99 1.01 0.84 -0.75 121.20 129.90 2h3j s ILE 12 Ca 0.36 0.96 0.24 0.00 0.00 0.00 0.00 60.65 62.21 2h3j s ILE 12 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2h3j s ILE 12 CO 0.25 -0.05 1.29 0.35 0.00 0.00 0.00 174.94 176.77 2h3j n THR 13 N 5.29 0.13 -2.54 2.92 -2.24 -0.40 -0.35 114.28 117.10 2h3j n THR 13 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2h3j n THR 13 Cb 0.49 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.43 -0.22 3.91 3.38 0.00 -1.23 -4.82 105.19 107.64 2h3j n GLY 14 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.82 3.49 0.34 1.61 1.51 -1.26 -0.35 117.35 119.86 2h3j s TYR 15 Ca 0.00 0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 56.16 2h3j s TYR 15 Cb 0.00 -1.87 -0.10 0.00 -0.11 0.00 0.00 41.96 39.88 2h3j s TYR 15 CO 0.00 0.49 1.26 -1.12 -1.11 0.00 0.00 175.55 175.07 2h3j s SER 16 N -2.62 6.78 0.00 2.29 0.01 -0.08 -4.69 113.70 115.40 2h3j s SER 16 Ca 0.38 2.59 0.07 0.00 1.31 0.00 0.00 55.95 60.30 2h3j s SER 16 Cb -0.12 -2.64 0.41 0.00 0.21 0.00 0.00 66.02 63.87 2h3j s SER 16 CO 0.27 -0.52 0.91 -2.65 0.41 0.00 0.00 173.24 171.66 2h3j n PRO 17 N 0.72 0.20 -0.57 12.44 -0.02 -1.26 -1.58 135.00 144.93 2h3j n PRO 17 Ca 0.01 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.60 2h3j n PRO 17 Cb 0.43 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.72 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h3j n ALA 18 N -1.04 3.14 -2.62 3.55 0.00 -1.26 -4.98 120.51 117.28 2h3j n ALA 18 Ca 0.05 -1.87 -0.24 0.00 0.00 0.00 0.00 53.44 51.37 2h3j n ALA 18 Cb 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.31 5.09 0.13 0.00 2.07 -0.62 -5.08 121.20 120.49 2h3j s ILE 19 Ca 0.45 -0.39 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 2h3j s ILE 19 Cb 0.33 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 39.01 2h3j s ILE 19 CO 0.16 -0.57 0.36 -0.44 -1.91 0.00 0.00 174.94 172.54 2h3j s SER 20 N -4.00 6.48 0.12 4.50 0.01 -1.26 -5.00 113.70 114.55 2h3j s SER 20 Ca 0.41 0.56 -0.20 0.00 1.31 0.00 0.00 55.95 58.03 2h3j s SER 20 Cb -0.10 -2.08 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 2h3j s SER 20 CO 0.37 0.06 1.75 0.78 0.41 0.00 0.00 173.24 176.61 2h3j h ASN 21 N 2.86 0.11 -0.74 2.44 4.21 -1.99 0.37 115.58 122.84 2h3j h ASN 21 Ca -0.46 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.08 2h3j h ASN 21 Cb 1.16 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 38.32 2h3j h ASN 21 CO 0.73 0.09 0.49 1.23 -1.29 0.00 0.00 177.43 178.67 2h3j h GLY 22 N 0.17 1.03 1.16 2.83 0.00 -1.99 0.27 103.07 106.54 2h3j h GLY 22 Ca 0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 47.33 46.83 2h3j h GLY 22 CO -0.06 0.35 -0.63 -1.82 0.00 0.00 0.00 176.54 174.38 2h3j h TYR 23 N 0.96 1.11 -0.58 5.60 5.03 -1.86 -1.50 116.97 125.72 2h3j h TYR 23 Ca 0.28 -0.43 0.05 0.00 2.58 0.00 0.00 58.73 61.21 2h3j h TYR 23 Cb -0.05 -0.20 -0.05 0.00 1.55 0.00 0.00 36.73 37.99 2h3j h TYR 23 CO -0.00 1.26 0.31 -0.09 -1.32 0.00 0.00 178.16 178.33 2h3j h ARG 24 N 0.63 0.57 -0.55 1.82 2.43 -0.21 0.26 114.38 119.34 2h3j h ARG 24 Ca -0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2h3j h ARG 24 Cb 1.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2h3j h ARG 24 CO 0.14 0.38 0.25 0.37 -1.51 0.00 0.00 179.97 179.60 2h3j h GLN 25 N 0.59 0.81 -0.67 0.20 4.15 -0.84 0.17 115.11 119.52 2h3j h GLN 25 Ca 0.26 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2h3j h GLN 25 Cb 0.15 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 2h3j h GLN 25 CO -0.17 0.67 0.35 -0.09 -1.93 0.00 0.00 178.83 177.67 2h3j h ARG 26 N 0.75 0.95 -0.33 1.69 2.43 -0.68 -0.31 114.38 118.88 2h3j h ARG 26 Ca 0.19 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2h3j h ARG 26 Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2h3j h ARG 26 CO -0.02 0.73 -0.00 -0.07 -1.51 0.00 0.00 179.97 179.09 2h3j h LEU 27 N 0.92 0.57 -0.52 3.80 3.38 0.02 -0.70 115.31 122.78 2h3j h LEU 27 Ca 0.23 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2h3j h LEU 27 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2h3j h LEU 27 CO -0.03 0.74 0.32 0.15 0.09 0.00 0.00 178.44 179.71 2h3j h PHE 28 N 0.38 0.67 0.00 1.13 3.57 -0.48 0.26 116.94 122.46 2h3j h PHE 28 Ca 0.09 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2h3j h PHE 28 Cb 0.45 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2h3j h PHE 28 CO 0.04 0.45 -0.33 0.77 -2.23 0.00 0.00 178.31 177.01 2h3j h SER 29 N 0.69 0.00 1.64 0.41 0.02 -0.90 -2.55 113.55 112.87 2h3j h SER 29 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 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 -0.26 0.24 -1.14 0.00 0.00 176.83 175.97 2h3j h MET 30 N 0.00 0.00 0.00 3.45 2.86 -0.40 -3.47 114.93 117.37 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 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 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 1.16 1.58 3.27 8.32 0.00 -0.34 -5.08 105.19 114.11 2h3j n GLY 31 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 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 6.11 0.09 0.99 1.43 0.76 -4.99 118.68 123.07 2h3j s LEU 32 Ca 0.00 -2.07 0.05 0.00 -1.03 0.00 0.00 54.13 51.08 2h3j s LEU 32 Cb 0.00 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2h3j s LEU 32 CO 0.00 -0.72 -0.13 -1.48 0.23 0.00 0.00 176.35 174.25 2h3j s LEU 33 N 1.14 2.33 0.28 1.79 2.34 -1.26 -3.41 118.68 121.89 2h3j s LEU 33 Ca 0.08 -0.70 -0.30 0.00 0.06 0.00 0.00 54.13 53.27 2h3j s LEU 33 Cb -0.24 -0.46 -0.10 0.00 -0.56 0.00 0.00 46.19 44.83 2h3j s LEU 33 CO -0.01 -0.14 1.46 -2.84 -1.06 0.00 0.00 176.35 173.76 2h3j s PRO 34 N -2.15 4.23 0.00 1.48 0.02 -1.26 -3.03 135.00 134.29 2h3j s PRO 34 Ca 0.01 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2h3j s PRO 34 Cb -0.07 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2h3j s PRO 34 CO 0.02 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2h3j n GLY 35 N 1.83 1.68 3.83 0.52 0.00 0.53 -4.98 105.19 108.61 2h3j n GLY 35 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.10 -0.99 -3.33 4.61 0.00 -1.17 -4.80 120.51 113.73 2h3j n ALA 36 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 2h3j n ALA 36 Cb 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.73 -0.95 -0.18 0.00 0.00 -1.26 -0.11 121.76 115.53 2h3j s ALA 37 Ca 0.72 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 2h3j s ALA 37 Cb -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2h3j s ALA 37 CO 0.50 -0.19 -0.03 -0.51 0.00 0.00 0.00 175.76 175.52 2h3j s LEU 38 N 0.35 3.17 -0.35 0.00 2.01 0.16 -4.56 118.68 119.46 2h3j s LEU 38 Ca -0.01 -0.20 -0.18 0.00 0.01 0.00 0.00 54.13 53.75 2h3j s LEU 38 Cb -0.03 -1.78 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 2h3j s LEU 38 CO -0.01 0.11 0.49 -0.60 1.01 0.00 0.00 176.35 177.35 2h3j s ARG 39 N 0.69 3.60 0.14 1.70 3.52 -0.33 -0.34 118.95 127.94 2h3j s ARG 39 Ca -0.02 -0.21 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 2h3j s ARG 39 Cb -0.14 -3.81 -0.08 0.00 -1.56 0.00 0.00 34.95 29.35 2h3j s ARG 39 CO 0.02 -0.63 1.34 0.54 -0.81 0.00 0.00 175.30 175.76 2h3j s VAL 40 N 2.34 3.34 -0.19 7.11 0.11 -0.91 -0.39 120.40 131.81 2h3j s VAL 40 Ca 0.18 1.01 0.06 0.00 -2.93 0.00 0.00 61.98 60.29 2h3j s VAL 40 Cb -0.16 -3.65 -0.15 0.00 -1.53 0.00 0.00 36.38 30.89 2h3j s VAL 40 CO 0.13 0.10 -0.11 0.52 -3.33 0.00 0.00 175.10 172.42 2h3j n VAL 41 N 3.50 1.16 -3.64 2.04 0.31 0.20 -3.93 118.33 117.97 2h3j n VAL 41 Ca 0.09 -0.52 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 2h3j n VAL 41 Cb 0.43 -1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 32.27 2h3j n VAL 41 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2h3j s ARG 42 N -2.41 0.50 -0.07 5.55 3.52 -0.52 0.27 118.95 125.80 2h3j s ARG 42 Ca -0.22 0.59 0.05 0.00 -0.13 0.00 0.00 55.73 56.02 2h3j s ARG 42 Cb 0.06 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 2h3j s ARG 42 CO 0.53 -0.06 -0.23 0.42 -0.81 0.00 0.00 175.30 175.16 2h3j s ILE 43 N 0.21 2.27 0.34 4.11 1.09 -1.26 -0.14 121.20 127.82 2h3j s ILE 43 Ca 0.03 -0.98 -0.27 0.00 -1.10 0.00 0.00 60.65 58.33 2h3j s ILE 43 Cb -0.05 -1.85 -0.09 0.00 -1.06 0.00 0.00 42.46 39.41 2h3j s ILE 43 CO -0.06 0.57 1.09 0.00 -0.10 0.00 0.00 174.94 176.44 2h3j s ALA 44 N -0.16 3.25 -0.59 9.38 0.00 -1.26 -4.91 121.76 127.47 2h3j s ALA 44 Ca -0.03 0.84 0.17 0.00 0.00 0.00 0.00 51.96 52.93 2h3j s ALA 44 Cb -0.14 -3.32 0.79 0.00 0.00 0.00 0.00 23.12 20.45 2h3j s ALA 44 CO 0.04 -0.24 1.51 -0.35 0.00 0.00 0.00 175.76 176.72 2h3j n PRO 45 N 0.53 0.10 0.26 0.00 -0.04 -1.26 -2.18 135.00 132.41 2h3j n PRO 45 Ca 0.02 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 2h3j n PRO 45 Cb 0.47 -1.76 0.78 0.00 -0.04 0.00 0.00 33.50 32.95 2h3j n PRO 45 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2h3j h LEU 46 N 0.00 0.00 0.00 1.53 -0.00 -2.02 -3.46 115.31 111.36 2h3j h LEU 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2h3j h LEU 46 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2h3j h LEU 46 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 2h3j n GLY 47 N -1.44 0.10 3.39 0.83 0.00 -0.93 -5.07 105.19 102.07 2h3j n GLY 47 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.01 -0.61 0.55 1.61 -1.08 -1.26 -4.78 116.67 109.10 2h3j s ASP 48 Ca 0.00 0.80 0.04 0.00 -0.52 0.00 0.00 52.55 52.87 2h3j s ASP 48 Cb 0.00 1.68 0.04 0.00 -1.46 0.00 0.00 42.92 43.18 2h3j s ASP 48 CO 0.00 -0.12 0.34 -2.16 0.52 0.00 0.00 175.17 173.75 2h3j s PRO 49 N 2.51 2.23 -0.24 4.34 0.04 -1.26 -4.41 135.00 138.21 2h3j s PRO 49 Ca -0.02 -2.14 -0.02 0.00 0.04 0.00 0.00 61.00 58.86 2h3j s PRO 49 Cb -0.07 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2h3j s PRO 49 CO -0.17 -0.62 0.06 0.42 0.04 0.00 0.00 177.00 176.72 2h3j s ILE 50 N -2.82 0.61 -0.38 0.56 1.01 -0.67 -4.24 121.20 115.27 2h3j s ILE 50 Ca 0.26 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 2h3j s ILE 50 Cb -0.02 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2h3j s ILE 50 CO 0.17 -0.41 0.84 -1.58 0.00 0.00 0.00 174.94 173.95 2h3j s GLN 51 N 1.79 3.73 0.16 2.79 2.00 0.80 -2.79 119.66 128.13 2h3j s GLN 51 Ca 0.03 0.34 -0.00 0.00 -2.00 0.00 0.00 55.36 53.73 2h3j s GLN 51 Cb -0.17 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.77 2h3j s GLN 51 CO -0.16 -0.94 0.06 0.14 -0.50 0.00 0.00 175.29 173.88 2h3j s VAL 52 N 3.29 0.25 -0.16 1.34 -7.23 0.10 0.62 120.40 118.61 2h3j s VAL 52 Ca 0.34 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2h3j s VAL 52 Cb -0.12 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2h3j s VAL 52 CO 0.19 -0.36 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.71 2h3j s GLU 53 N -4.03 2.96 0.00 4.82 2.12 0.47 0.92 118.70 125.96 2h3j s GLU 53 Ca 0.27 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.78 2h3j s GLU 53 Cb 0.07 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2h3j s GLU 53 CO 0.05 -0.11 0.00 2.41 -0.54 0.00 0.00 175.26 177.06 2h3j n THR 54 N 4.35 0.00 -1.41 -1.70 -1.04 -1.22 -1.18 114.28 112.07 2h3j n THR 54 Ca -0.20 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2h3j n THR 54 Cb 0.51 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2h3j n THR 54 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2h3j n ARG 55 N -0.94 0.00 0.07 -2.82 1.85 -1.26 -4.79 116.66 108.76 2h3j n ARG 55 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 2h3j n ARG 55 Cb 0.00 -0.29 0.00 0.00 -1.05 0.00 0.00 32.46 31.12 2h3j n ARG 55 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2h3j n GLN 56 N 0.00 0.00 -3.60 2.89 -0.06 -1.26 -5.16 117.38 110.19 2h3j n GLN 56 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.89 2h3j n GLN 56 Cb 0.45 -0.05 -0.01 0.00 -4.06 0.00 0.00 30.24 26.57 2h3j n GLN 56 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2h3j n THR 57 N -3.02 0.00 -2.72 1.69 5.66 -1.26 -5.15 114.28 109.48 2h3j n THR 57 Ca 0.00 -1.30 -0.38 0.00 -3.05 0.00 0.00 64.05 59.32 2h3j n THR 57 Cb 0.00 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 2h3j n THR 57 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2h3j s SER 58 N -2.89 7.34 0.30 1.09 0.01 -1.26 -3.45 113.70 114.85 2h3j s SER 58 Ca 0.21 1.93 0.02 0.00 1.31 0.00 0.00 55.95 59.43 2h3j s SER 58 Cb -0.02 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2h3j s SER 58 CO 0.15 -0.07 0.09 -0.76 0.41 0.00 0.00 173.24 173.06 2h3j s LEU 59 N -1.84 1.88 0.01 2.44 1.43 0.26 -4.93 118.68 117.93 2h3j s LEU 59 Ca 0.48 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2h3j s LEU 59 Cb -0.22 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 2h3j s LEU 59 CO 0.28 -0.70 0.00 0.00 0.23 0.00 0.00 176.35 176.16 2h3j s ALA 60 N -3.53 0.03 0.08 4.21 0.00 -1.25 -0.72 121.76 120.58 2h3j s ALA 60 Ca 0.36 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2h3j s ALA 60 Cb 0.08 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2h3j s ALA 60 CO 0.15 -0.12 0.26 -0.48 0.00 0.00 0.00 175.76 175.56 2h3j s LEU 61 N -1.04 1.10 0.48 0.00 2.34 -1.12 -4.92 118.68 115.51 2h3j s LEU 61 Ca -0.11 -0.45 0.09 0.00 0.06 0.00 0.00 54.13 53.71 2h3j s LEU 61 Cb -0.07 1.26 0.04 0.00 -0.56 0.00 0.00 46.19 46.86 2h3j s LEU 61 CO -0.00 -0.71 0.65 -0.13 -1.06 0.00 0.00 176.35 175.09 2h3j s ARG 62 N -3.42 2.62 0.41 1.48 1.81 -1.26 -1.66 118.95 118.92 2h3j s ARG 62 Ca 0.01 -1.41 0.12 0.00 -1.72 0.00 0.00 55.73 52.74 2h3j s ARG 62 Cb 0.02 -2.70 0.95 0.00 -0.45 0.00 0.00 34.95 32.77 2h3j s ARG 62 CO -0.09 -0.50 1.94 0.07 -0.68 0.00 0.00 175.30 176.04 2h3j h ARG 63 N 0.47 0.51 0.15 3.54 -0.00 -1.98 0.10 114.38 117.17 2h3j h ARG 63 Ca -0.36 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.58 2h3j h ARG 63 Cb 1.28 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2h3j h ARG 63 CO 0.44 0.33 -0.07 -0.22 -0.00 0.00 0.00 179.97 180.45 2h3j h LYS 64 N 0.52 -0.19 -0.58 0.08 3.64 -1.97 0.11 116.57 118.17 2h3j h LYS 64 Ca 0.34 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2h3j h LYS 64 Cb 0.61 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2h3j h LYS 64 CO -0.11 -0.06 0.05 0.22 -2.27 0.00 0.00 179.45 177.28 2h3j h ASP 65 N -0.29 0.94 -0.90 4.20 1.82 -1.71 -2.11 116.42 118.37 2h3j h ASP 65 Ca -0.02 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2h3j h ASP 65 Cb 0.23 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 2h3j h ASP 65 CO 0.03 0.97 0.57 0.25 -1.61 0.00 0.00 179.24 179.45 2h3j h LEU 66 N 0.91 1.05 -1.30 2.28 5.85 -0.70 -2.43 115.31 120.97 2h3j h LEU 66 Ca 0.18 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2h3j h LEU 66 Cb 0.46 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2h3j h LEU 66 CO 0.02 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 2h3j h ALA 67 N 1.40 1.00 0.00 1.25 0.00 -0.07 -2.07 119.26 120.77 2h3j h ALA 67 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2h3j h ALA 67 Cb -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2h3j h ALA 67 CO -0.07 0.00 -0.85 -0.07 0.00 0.00 0.00 179.25 178.26 2h3j h LEU 68 N 0.00 0.00 -8.88 0.00 3.38 -1.31 -3.42 115.31 105.09 2h3j h LEU 68 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2h3j h LEU 68 Cb 0.35 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.88 2h3j h LEU 68 CO 0.00 0.57 -0.68 -0.76 0.09 0.00 0.00 178.44 177.66 2h3j s LEU 69 N -6.25 3.20 -0.38 1.67 1.43 -0.78 -0.90 118.68 116.67 2h3j s LEU 69 Ca 0.01 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 2h3j s LEU 69 Cb 0.08 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2h3j s LEU 69 CO 0.77 0.21 0.75 -0.89 0.23 0.00 0.00 176.35 177.42 2h3j s THR 70 N 0.14 4.75 -0.10 5.49 2.01 0.52 -4.77 115.64 123.68 2h3j s THR 70 Ca -0.02 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2h3j s THR 70 Cb -0.14 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2h3j s THR 70 CO 0.03 -0.46 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.57 2h3j s LEU 71 N 3.05 2.54 0.00 4.42 1.43 -1.26 -1.28 118.68 127.58 2h3j s LEU 71 Ca 0.29 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2h3j s LEU 71 Cb -0.13 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2h3j s LEU 71 CO 0.18 0.21 -0.16 0.68 0.23 0.00 0.00 176.35 177.48 2h3j s VAL 72 N 0.09 1.28 0.91 -1.59 -7.23 0.08 -4.95 120.40 108.99 2h3j s VAL 72 Ca -0.07 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 2h3j s VAL 72 Cb -0.15 -1.08 0.14 0.00 0.56 0.00 0.00 36.38 35.85 2h3j s VAL 72 CO 0.05 0.29 1.11 -2.84 -0.31 0.00 0.00 175.10 173.40 2h3j s PRO 73 N -0.56 1.09 0.05 4.82 0.02 -1.26 0.48 135.00 139.64 2h3j s PRO 73 Ca 0.06 1.22 -0.19 0.00 0.02 0.00 0.00 61.00 62.10 2h3j s PRO 73 Cb -0.07 -1.76 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 2h3j s PRO 73 CO -0.00 -2.47 1.33 -0.07 -0.33 0.00 0.00 177.00 175.46 2h3j h LEU 74 N -1.74 0.45 -0.56 -5.54 3.38 -1.40 -3.43 115.31 106.48 2h3j h LEU 74 Ca -0.47 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.00 2h3j h LEU 74 Cb 1.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2h3j h LEU 74 CO 0.48 0.87 0.00 -0.67 0.09 0.00 0.00 178.44 179.20