#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 -4.72 -4.16 3.17 7.64 -1.26 -4.86 113.62 109.44 2h3j n SER 2 Ca 0.00 1.04 -0.39 0.00 1.01 0.00 0.00 58.87 60.53 2h3j n SER 2 Cb 0.00 -2.44 -0.09 0.00 -1.01 0.00 0.00 64.21 60.67 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 -4.71 3.45 0.00 -0.43 0.00 -1.26 -4.95 121.76 113.87 2h3j s ALA 3 Ca 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.13 2h3j s ALA 3 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2h3j s ALA 3 CO 0.00 -1.97 0.00 1.28 0.00 0.00 0.00 175.76 175.07 2h3j n LEU 4 N 4.31 1.60 -2.97 0.00 4.77 -1.26 -5.04 117.00 118.41 2h3j n LEU 4 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2h3j n LEU 4 Cb 0.41 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2h3j n LEU 4 CO 0.37 0.00 0.08 0.00 -1.33 0.00 0.00 177.39 176.51 2h3j n GLN 5 N -0.89 -2.11 -2.23 3.23 6.02 -1.26 -4.82 117.38 115.32 2h3j n GLN 5 Ca 0.00 1.91 -0.42 0.00 -0.01 0.00 0.00 57.00 58.48 2h3j n GLN 5 Cb 0.00 -5.35 -0.03 0.00 1.02 0.00 0.00 30.24 25.88 2h3j n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2h3j s PRO 6 N -2.74 4.34 -0.01 -1.09 0.04 -1.26 -4.93 135.00 129.35 2h3j s PRO 6 Ca 0.20 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2h3j s PRO 6 Cb -0.05 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2h3j s PRO 6 CO 0.78 -0.41 0.15 1.03 0.04 0.00 0.00 177.00 178.58 2h3j h SER 7 N 6.90 -0.03 -4.57 6.66 0.87 -1.91 -3.49 113.55 117.98 2h3j h SER 7 Ca -0.42 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.90 2h3j h SER 7 Cb 1.21 0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.03 2h3j h SER 7 CO 0.86 0.06 -0.69 -0.13 -0.53 0.00 0.00 176.83 176.40 2h3j s ARG 8 N -1.43 0.93 0.00 2.24 0.52 -1.26 -5.05 118.95 114.89 2h3j s ARG 8 Ca -0.00 -1.40 0.07 0.00 -0.52 0.00 0.00 55.73 53.88 2h3j s ARG 8 Cb 0.00 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.22 2h3j s ARG 8 CO 0.01 -0.05 -0.23 -1.12 0.02 0.00 0.00 175.30 173.93 2h3j s SER 9 N -3.09 3.34 -0.04 0.23 0.01 -1.26 -2.80 113.70 110.09 2h3j s SER 9 Ca 0.16 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.00 2h3j s SER 9 Cb 0.05 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2h3j s SER 9 CO -0.02 0.30 -0.11 -0.31 0.41 0.00 0.00 173.24 173.51 2h3j s TYR 10 N -0.72 1.25 0.43 2.43 2.02 0.22 -0.82 117.35 122.16 2h3j s TYR 10 Ca 0.11 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 2h3j s TYR 10 Cb -0.10 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 2h3j s TYR 10 CO 0.01 -0.18 0.71 1.03 -1.57 0.00 0.00 175.55 175.55 2h3j s ARG 11 N 0.40 3.56 -0.39 -0.62 0.52 1.00 0.75 118.95 124.16 2h3j s ARG 11 Ca -0.08 0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 2h3j s ARG 11 Cb -0.12 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 32.90 2h3j s ARG 11 CO 0.02 -0.08 0.27 0.42 0.02 0.00 0.00 175.30 175.95 2h3j s ILE 12 N -2.56 5.18 0.05 1.52 1.01 0.71 -0.33 121.20 126.78 2h3j s ILE 12 Ca 0.46 -0.57 0.13 0.00 0.00 0.00 0.00 60.65 60.67 2h3j s ILE 12 Cb -0.10 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 2h3j s ILE 12 CO 0.40 -0.22 1.49 0.74 0.00 0.00 0.00 174.94 177.35 2h3j h THR 13 N 5.62 1.17 0.00 2.92 2.02 -1.08 0.29 112.91 123.85 2h3j h THR 13 Ca -0.28 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2h3j h THR 13 Cb 1.13 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 2h3j h THR 13 CO 0.70 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.81 2h3j n GLY 14 N 0.91 -0.10 3.45 2.16 0.00 -1.00 -4.66 105.19 105.95 2h3j n GLY 14 Ca 0.01 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 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 2.42 0.43 1.61 1.51 -1.26 -0.41 117.35 117.64 2h3j s TYR 15 Ca 0.00 -0.32 -0.25 0.00 -1.01 0.00 0.00 57.07 55.49 2h3j s TYR 15 Cb 0.00 -1.26 -0.08 0.00 -0.11 0.00 0.00 41.96 40.51 2h3j s TYR 15 CO 0.00 0.42 1.33 -1.12 -1.11 0.00 0.00 175.55 175.07 2h3j s SER 16 N -2.34 6.14 0.00 2.29 0.01 0.50 -4.64 113.70 115.67 2h3j s SER 16 Ca 0.18 2.71 0.04 0.00 1.31 0.00 0.00 55.95 60.20 2h3j s SER 16 Cb -0.09 -2.64 0.25 0.00 0.21 0.00 0.00 66.02 63.75 2h3j s SER 16 CO 0.09 -0.97 0.75 -2.65 0.41 0.00 0.00 173.24 170.87 2h3j n PRO 17 N -0.04 0.13 0.00 12.44 -0.02 -1.26 -1.27 135.00 144.98 2h3j n PRO 17 Ca 0.05 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.66 2h3j n PRO 17 Cb 0.43 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.02 3.66 -2.25 3.55 0.00 -1.26 -4.94 120.51 118.25 2h3j n ALA 18 Ca 0.03 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 2h3j n ALA 18 Cb 0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.66 4.77 0.49 0.00 2.07 -0.40 -5.08 121.20 120.40 2h3j s ILE 19 Ca 0.17 0.83 -0.03 0.00 -1.41 0.00 0.00 60.65 60.20 2h3j s ILE 19 Cb 0.18 -3.66 -0.01 0.00 0.13 0.00 0.00 42.46 39.09 2h3j s ILE 19 CO 0.63 -0.03 0.77 -0.55 -1.91 0.00 0.00 174.94 173.85 2h3j s SER 20 N -2.13 5.93 0.13 4.50 0.15 -1.26 -4.99 113.70 116.03 2h3j s SER 20 Ca 0.48 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 2h3j s SER 20 Cb -0.12 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 2h3j s SER 20 CO 0.19 -0.74 1.47 -1.13 1.20 0.00 0.00 173.24 174.23 2h3j h ASN 21 N 0.20 0.95 -0.32 5.45 -1.24 -1.99 -2.28 115.58 116.35 2h3j h ASN 21 Ca -0.46 -0.46 -0.01 0.00 0.71 0.00 0.00 56.30 56.07 2h3j h ASN 21 Cb 1.24 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.00 2h3j h ASN 21 CO 0.60 1.22 0.16 1.23 -1.29 0.00 0.00 177.43 179.35 2h3j h GLY 22 N 0.70 0.54 1.21 1.57 0.00 -1.99 0.10 103.07 105.21 2h3j h GLY 22 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 2h3j h GLY 22 CO 0.09 0.23 -0.13 -0.97 0.00 0.00 0.00 176.54 175.75 2h3j h TYR 23 N 0.51 1.03 -0.69 5.60 0.05 -1.90 -1.48 116.97 120.08 2h3j h TYR 23 Ca 0.13 -0.21 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2h3j h TYR 23 Cb 0.08 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 2h3j h TYR 23 CO 0.00 0.99 0.44 -0.09 -1.05 0.00 0.00 178.16 178.45 2h3j h ARG 24 N 0.82 0.85 -0.52 4.88 2.43 -0.67 -0.08 114.38 122.09 2h3j h ARG 24 Ca 0.13 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2h3j h ARG 24 Cb 0.67 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2h3j h ARG 24 CO 0.05 0.56 0.07 1.96 -1.51 0.00 0.00 179.97 181.11 2h3j h GLN 25 N 0.88 0.83 -0.15 0.20 4.20 -0.65 0.25 115.11 120.67 2h3j h GLN 25 Ca 0.26 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 2h3j h GLN 25 Cb -0.04 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2h3j h GLN 25 CO -0.08 0.78 -0.65 -0.09 -0.67 0.00 0.00 178.83 178.12 2h3j h ARG 26 N 0.79 0.55 -0.30 1.46 2.43 -0.85 -1.85 114.38 116.60 2h3j h ARG 26 Ca 0.16 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.84 2h3j h ARG 26 Cb 0.37 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2h3j h ARG 26 CO 0.01 1.02 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.23 2h3j h LEU 27 N 0.40 0.68 -0.50 3.80 3.38 -0.53 -1.51 115.31 121.03 2h3j h LEU 27 Ca -0.02 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2h3j h LEU 27 Cb 1.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2h3j h LEU 27 CO 0.12 0.96 0.30 0.15 0.09 0.00 0.00 178.44 180.06 2h3j h PHE 28 N 0.41 0.56 -0.12 1.13 3.04 -0.41 0.18 116.94 121.73 2h3j h PHE 28 Ca 0.06 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 2h3j h PHE 28 Cb 0.72 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 2h3j h PHE 28 CO 0.06 0.32 -0.15 0.77 -2.02 0.00 0.00 178.31 177.29 2h3j h SER 29 N 0.59 0.18 1.41 0.41 0.02 -1.23 -2.09 113.55 112.84 2h3j h SER 29 Ca 0.20 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2h3j h SER 29 Cb 0.02 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2h3j h SER 29 CO -0.09 0.35 -0.10 0.24 -1.14 0.00 0.00 176.83 176.09 2h3j h MET 30 N 0.18 0.00 0.00 3.45 2.86 -0.40 -3.47 114.93 117.55 2h3j h MET 30 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2h3j h MET 30 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2h3j h MET 30 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2h3j n GLY 31 N 1.30 1.27 3.23 8.32 0.00 -0.43 -5.08 105.19 113.81 2h3j n GLY 31 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 5.86 0.09 0.99 1.43 0.51 -4.98 118.68 122.58 2h3j s LEU 32 Ca 0.00 -2.07 0.06 0.00 -1.03 0.00 0.00 54.13 51.09 2h3j s LEU 32 Cb 0.00 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2h3j s LEU 32 CO 0.00 -0.68 -0.16 -1.48 0.23 0.00 0.00 176.35 174.26 2h3j s LEU 33 N 1.14 2.30 0.24 1.79 2.34 -1.26 -2.97 118.68 122.26 2h3j s LEU 33 Ca 0.08 -0.67 -0.30 0.00 0.06 0.00 0.00 54.13 53.30 2h3j s LEU 33 Cb -0.25 -0.62 -0.10 0.00 -0.56 0.00 0.00 46.19 44.67 2h3j s LEU 33 CO -0.01 -0.05 1.41 -2.16 -1.06 0.00 0.00 176.35 174.48 2h3j s PRO 34 N -1.94 4.29 0.00 1.48 0.04 -1.26 -3.00 135.00 134.62 2h3j s PRO 34 Ca 0.02 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2h3j s PRO 34 Cb -0.09 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2h3j s PRO 34 CO 0.03 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2h3j n GLY 35 N 2.20 2.97 0.56 0.56 0.00 0.10 -4.98 105.19 106.61 2h3j n GLY 35 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.28 -0.15 -3.40 4.61 0.00 -1.16 -4.76 120.51 114.36 2h3j n ALA 36 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2h3j n ALA 36 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.68 -0.73 -0.14 0.00 0.00 -1.26 -0.20 121.76 115.74 2h3j s ALA 37 Ca 0.11 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 2h3j s ALA 37 Cb -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2h3j s ALA 37 CO 0.07 -0.17 -0.03 -0.51 0.00 0.00 0.00 175.76 175.12 2h3j s LEU 38 N 0.63 3.29 -0.24 0.00 1.43 0.23 -4.32 118.68 119.70 2h3j s LEU 38 Ca -0.04 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 2h3j s LEU 38 Cb -0.05 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2h3j s LEU 38 CO -0.04 0.21 0.13 -0.60 0.23 0.00 0.00 176.35 176.28 2h3j s ARG 39 N 0.13 3.93 0.06 1.70 3.52 0.10 -0.61 118.95 127.78 2h3j s ARG 39 Ca -0.01 -0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 54.95 2h3j s ARG 39 Cb -0.14 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 2h3j s ARG 39 CO 0.03 -0.02 1.43 0.54 -0.81 0.00 0.00 175.30 176.47 2h3j s VAL 40 N 1.25 3.44 -0.19 7.11 0.11 -1.12 -0.83 120.40 130.16 2h3j s VAL 40 Ca 0.06 0.94 -0.22 0.00 -2.93 0.00 0.00 61.98 59.83 2h3j s VAL 40 Cb -0.14 -3.60 -0.19 0.00 -1.53 0.00 0.00 36.38 30.92 2h3j s VAL 40 CO 0.05 0.03 0.26 0.58 -3.33 0.00 0.00 175.10 172.70 2h3j h VAL 41 N 4.62 0.97 -1.24 2.04 2.07 -0.16 -3.37 116.25 121.18 2h3j h VAL 41 Ca -0.40 -2.13 0.16 0.00 0.82 0.00 0.00 66.70 65.15 2h3j h VAL 41 Cb 1.19 2.23 -0.29 0.00 -1.52 0.00 0.00 31.29 32.91 2h3j h VAL 41 CO 0.89 0.33 0.76 -0.60 0.02 0.00 0.00 177.57 178.97 2h3j s ARG 42 N -2.33 0.22 -0.11 1.57 3.52 -0.91 -4.67 118.95 116.25 2h3j s ARG 42 Ca -0.26 0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.46 2h3j s ARG 42 Cb 0.04 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2h3j s ARG 42 CO 0.58 -0.04 0.13 0.42 -0.81 0.00 0.00 175.30 175.57 2h3j s ILE 43 N -0.25 5.36 0.34 4.11 1.01 -1.26 -1.53 121.20 128.98 2h3j s ILE 43 Ca 0.06 0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2h3j s ILE 43 Cb -0.04 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 2h3j s ILE 43 CO -0.10 0.59 0.85 0.00 0.00 0.00 0.00 174.94 176.28 2h3j s ALA 44 N -1.04 3.22 -1.80 9.38 0.00 -1.24 -4.94 121.76 125.35 2h3j s ALA 44 Ca 0.16 0.28 0.11 0.00 0.00 0.00 0.00 51.96 52.51 2h3j s ALA 44 Cb -0.12 -2.99 0.64 0.00 0.00 0.00 0.00 23.12 20.65 2h3j s ALA 44 CO 0.05 0.23 1.16 -0.35 0.00 0.00 0.00 175.76 176.86 2h3j n PRO 45 N -0.09 0.29 -0.32 0.00 -0.04 -1.26 -2.48 135.00 131.10 2h3j n PRO 45 Ca 0.03 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2h3j n PRO 45 Cb 0.52 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 2h3j n PRO 45 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2h3j h LEU 46 N 0.00 0.91 0.00 1.53 7.12 -2.00 -3.46 115.31 119.41 2h3j h LEU 46 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2h3j h LEU 46 Cb 0.04 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 39.99 2h3j h LEU 46 CO 0.00 0.55 0.00 0.61 -0.13 0.00 0.00 178.44 179.47 2h3j n GLY 47 N -1.39 1.62 0.00 3.75 0.00 -1.03 -5.07 105.19 103.07 2h3j n GLY 47 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2h3j n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h3j n ASP 48 N 0.00 0.00 -4.75 1.61 -0.08 -1.24 -4.88 116.55 107.21 2h3j n ASP 48 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 2h3j n ASP 48 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 2h3j n ASP 48 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2h3j s PRO 49 N 0.00 2.51 -0.35 -0.67 0.05 -1.26 -4.48 135.00 130.80 2h3j s PRO 49 Ca 0.00 -1.41 -0.00 0.00 0.05 0.00 0.00 61.00 59.64 2h3j s PRO 49 Cb 0.00 -2.29 0.08 0.00 0.05 0.00 0.00 34.50 32.35 2h3j s PRO 49 CO 0.00 0.19 0.08 0.42 0.05 0.00 0.00 177.00 177.74 2h3j s ILE 50 N -2.34 2.86 -0.39 0.56 1.01 0.58 -3.65 121.20 119.82 2h3j s ILE 50 Ca 0.37 -1.88 -0.25 0.00 0.00 0.00 0.00 60.65 58.88 2h3j s ILE 50 Cb -0.05 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.57 2h3j s ILE 50 CO 0.23 -0.43 0.91 -1.10 0.00 0.00 0.00 174.94 174.56 2h3j s GLN 51 N 1.11 3.75 0.21 2.79 -0.21 -0.58 -2.22 119.66 124.52 2h3j s GLN 51 Ca 0.03 0.44 0.03 0.00 0.02 0.00 0.00 55.36 55.88 2h3j s GLN 51 Cb -0.21 -3.84 -0.05 0.00 1.00 0.00 0.00 33.01 29.92 2h3j s GLN 51 CO -0.04 -1.01 0.01 0.14 -2.12 0.00 0.00 175.29 172.26 2h3j s VAL 52 N 3.52 0.84 -0.09 1.09 -7.23 0.86 0.60 120.40 119.99 2h3j s VAL 52 Ca 0.37 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.44 2h3j s VAL 52 Cb -0.12 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.55 2h3j s VAL 52 CO 0.21 -0.34 0.26 -0.70 -0.31 0.00 0.00 175.10 174.21 2h3j s GLU 53 N -3.90 0.33 -0.24 4.82 2.12 -0.01 -0.13 118.70 121.69 2h3j s GLU 53 Ca 0.28 0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.77 2h3j s GLU 53 Cb 0.06 0.16 -0.16 0.00 0.26 0.00 0.00 34.13 34.45 2h3j s GLU 53 CO 0.07 -0.05 -0.09 -2.37 -0.54 0.00 0.00 175.26 172.28 2h3j n THR 54 N 2.77 1.55 0.00 -1.70 5.66 -1.26 0.00 114.28 121.31 2h3j n THR 54 Ca -0.14 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2h3j n THR 54 Cb 0.58 -1.86 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 2h3j n THR 54 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2h3j n ARG 55 N -4.10 0.00 0.04 1.09 1.85 -1.26 -4.80 116.66 109.48 2h3j n ARG 55 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.41 2h3j n ARG 55 Cb 0.85 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.26 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 -3.52 2.89 -0.06 -1.26 -5.14 117.38 110.29 2h3j n GLN 56 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 2h3j n GLN 56 Cb 0.00 -0.14 -0.04 0.00 -4.06 0.00 0.00 30.24 26.00 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2h3j s THR 57 N -1.43 0.00 0.33 1.69 -1.32 -1.26 -5.15 115.64 108.49 2h3j s THR 57 Ca 0.00 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.20 2h3j s THR 57 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2h3j s THR 57 CO 0.00 0.00 1.16 -0.44 -2.21 0.00 0.00 174.62 173.13 2h3j s SER 58 N -1.68 6.95 0.01 8.08 0.01 -1.26 -4.47 113.70 121.34 2h3j s SER 58 Ca -0.03 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2h3j s SER 58 Cb -0.01 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2h3j s SER 58 CO -0.00 -0.38 -0.02 -0.22 0.41 0.00 0.00 173.24 173.04 2h3j s LEU 59 N -1.85 2.11 -0.03 2.44 2.96 0.82 -4.92 118.68 120.20 2h3j s LEU 59 Ca 0.49 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2h3j s LEU 59 Cb -0.33 0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 2h3j s LEU 59 CO 0.42 -0.14 -0.11 0.00 -1.32 0.00 0.00 176.35 175.21 2h3j s ALA 60 N -0.67 2.83 0.08 5.97 0.00 -1.25 -0.10 121.76 128.62 2h3j s ALA 60 Ca -0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2h3j s ALA 60 Cb -0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2h3j s ALA 60 CO -0.00 0.58 0.06 -0.48 0.00 0.00 0.00 175.76 175.91 2h3j s LEU 61 N -0.97 1.98 0.58 0.00 0.05 -0.94 -4.89 118.68 114.49 2h3j s LEU 61 Ca 0.13 -0.95 0.05 0.00 0.05 0.00 0.00 54.13 53.42 2h3j s LEU 61 Cb -0.11 0.50 0.07 0.00 -2.05 0.00 0.00 46.19 44.61 2h3j s LEU 61 CO 0.03 -0.68 0.80 -0.13 -0.55 0.00 0.00 176.35 175.82 2h3j s ARG 62 N -3.93 2.27 0.32 1.48 3.00 -1.26 -0.31 118.95 120.52 2h3j s ARG 62 Ca 0.11 -1.29 0.05 0.00 0.00 0.00 0.00 55.73 54.60 2h3j s ARG 62 Cb 0.07 -2.56 0.55 0.00 0.00 0.00 0.00 34.95 33.01 2h3j s ARG 62 CO -0.07 -0.89 1.80 0.00 0.00 0.00 0.00 175.30 176.14 2h3j h ARG 63 N 0.06 0.38 -0.30 3.54 2.47 -1.98 -0.31 114.38 118.24 2h3j h ARG 63 Ca -0.35 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.15 2h3j h ARG 63 Cb 1.28 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 2h3j h ARG 63 CO 0.43 0.57 -0.20 0.87 0.56 0.00 0.00 179.97 182.20 2h3j h LYS 64 N 0.35 0.56 -0.37 0.04 1.79 -1.97 -0.19 116.57 116.79 2h3j h LYS 64 Ca 0.06 -0.20 -0.10 0.00 -2.18 0.00 0.00 60.65 58.23 2h3j h LYS 64 Cb 0.55 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2h3j h LYS 64 CO 0.04 0.73 -0.16 -0.44 -1.08 0.00 0.00 179.45 178.53 2h3j h ASP 65 N 0.50 0.78 -0.23 0.86 3.32 -1.79 -2.91 116.42 116.95 2h3j h ASP 65 Ca 0.08 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 2h3j h ASP 65 Cb 0.63 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2h3j h ASP 65 CO 0.04 1.00 0.15 0.25 -1.72 0.00 0.00 179.24 178.96 2h3j h LEU 66 N 0.55 0.27 -2.01 1.55 5.85 -0.69 -0.91 115.31 119.92 2h3j h LEU 66 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2h3j h LEU 66 Cb 0.71 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2h3j h LEU 66 CO 0.05 0.21 -0.05 0.00 -0.34 0.00 0.00 178.44 178.31 2h3j h ALA 67 N 1.84 1.08 0.00 1.25 0.00 -0.83 -1.90 119.26 120.71 2h3j h ALA 67 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2h3j h ALA 67 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h3j h ALA 67 CO -0.02 0.06 -0.56 -0.07 0.00 0.00 0.00 179.25 178.66 2h3j h LEU 68 N 0.00 0.00 -9.47 0.00 3.38 -1.17 -3.43 115.31 104.63 2h3j h LEU 68 Ca -0.00 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.26 2h3j h LEU 68 Cb 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 2h3j h LEU 68 CO 0.01 0.02 -0.57 -0.76 0.09 0.00 0.00 178.44 177.22 2h3j s LEU 69 N -5.33 3.88 -0.33 1.67 1.43 -0.71 -0.37 118.68 118.93 2h3j s LEU 69 Ca 0.04 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 2h3j s LEU 69 Cb 0.09 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2h3j s LEU 69 CO 0.73 0.35 0.21 -0.89 0.23 0.00 0.00 176.35 176.98 2h3j s THR 70 N -1.03 5.08 0.09 5.49 2.01 0.45 -4.61 115.64 123.12 2h3j s THR 70 Ca 0.17 -0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.00 2h3j s THR 70 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2h3j s THR 70 CO 0.07 0.03 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.04 2h3j s LEU 71 N 1.69 2.49 -0.17 4.42 1.43 -1.26 -0.47 118.68 126.81 2h3j s LEU 71 Ca 0.06 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2h3j s LEU 71 Cb -0.17 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.68 2h3j s LEU 71 CO 0.09 0.21 -0.06 0.68 0.23 0.00 0.00 176.35 177.50 2h3j s VAL 72 N -1.00 1.20 0.88 -1.59 -7.23 0.55 -4.84 120.40 108.37 2h3j s VAL 72 Ca 0.15 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 2h3j s VAL 72 Cb -0.10 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.61 2h3j s VAL 72 CO 0.06 0.15 1.11 -2.84 -0.31 0.00 0.00 175.10 173.27 2h3j s PRO 73 N 1.60 1.32 0.07 4.82 0.02 -1.26 -0.00 135.00 141.56 2h3j s PRO 73 Ca 0.01 1.24 0.23 0.00 0.02 0.00 0.00 61.00 62.49 2h3j s PRO 73 Cb -0.15 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.63 2h3j s PRO 73 CO -0.08 -2.32 1.02 1.28 -0.33 0.00 0.00 177.00 176.57 2h3j n LEU 74 N -3.99 0.61 0.00 -5.54 4.77 0.00 -4.74 117.00 108.11 2h3j n LEU 74 Ca 0.09 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2h3j n LEU 74 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2h3j n LEU 74 CO 0.52 0.01 0.18 -0.67 -1.33 0.00 0.00 177.39 176.11