#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 5.23 0.29 3.17 0.01 -1.26 -4.96 113.70 116.18 2h3j s SER 2 Ca 0.00 -3.73 0.00 0.00 1.31 0.00 0.00 55.95 53.53 2h3j s SER 2 Cb 0.00 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2h3j s SER 2 CO 0.00 -0.14 0.00 0.00 0.41 0.00 0.00 173.24 173.51 2h3j n ALA 3 N 2.21 -2.81 -3.42 1.44 0.00 -1.26 -4.89 120.51 111.78 2h3j n ALA 3 Ca 0.19 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.84 2h3j n ALA 3 Cb 0.36 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2h3j n ALA 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2h3j s LEU 4 N -6.13 -0.10 -0.69 0.00 2.96 -1.26 -4.98 118.68 108.48 2h3j s LEU 4 Ca 0.00 -0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 52.93 2h3j s LEU 4 Cb 0.00 0.38 0.01 0.00 0.50 0.00 0.00 46.19 47.07 2h3j s LEU 4 CO 0.00 -0.38 0.66 0.00 -1.32 0.00 0.00 176.35 175.30 2h3j n GLN 5 N 5.19 -1.59 -2.41 1.98 6.02 -1.26 -4.52 117.38 120.78 2h3j n GLN 5 Ca -0.01 1.39 -0.43 0.00 -0.01 0.00 0.00 57.00 57.94 2h3j n GLN 5 Cb 0.45 -4.53 -0.02 0.00 1.02 0.00 0.00 30.24 27.16 2h3j n GLN 5 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2h3j s PRO 6 N -3.42 4.05 -0.23 -1.09 0.02 -1.26 -4.81 135.00 128.26 2h3j s PRO 6 Ca 0.07 1.45 -0.17 0.00 0.02 0.00 0.00 61.00 62.37 2h3j s PRO 6 Cb -0.01 -3.83 -0.17 0.00 0.02 0.00 0.00 34.50 30.51 2h3j s PRO 6 CO 0.80 -0.94 -0.01 0.45 -0.33 0.00 0.00 177.00 176.97 2h3j n SER 7 N 7.19 1.92 -3.90 2.53 2.88 -1.26 -5.03 113.62 117.96 2h3j n SER 7 Ca 0.14 0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.95 2h3j n SER 7 Cb 0.46 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 62.96 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2h3j s ARG 8 N -2.44 0.79 -0.07 -1.46 0.52 -1.26 -5.08 118.95 109.96 2h3j s ARG 8 Ca -0.32 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 53.96 2h3j s ARG 8 Cb 0.09 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.87 2h3j s ARG 8 CO 0.57 -0.23 -0.24 -1.12 0.02 0.00 0.00 175.30 174.30 2h3j s SER 9 N -2.82 2.95 -0.13 0.23 0.01 -1.26 -2.06 113.70 110.61 2h3j s SER 9 Ca 0.05 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 2h3j s SER 9 Cb 0.05 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.32 2h3j s SER 9 CO -0.10 0.21 -0.13 -0.31 0.41 0.00 0.00 173.24 173.31 2h3j s TYR 10 N -0.00 2.81 0.35 2.43 1.51 0.46 -1.49 117.35 123.41 2h3j s TYR 10 Ca -0.08 -0.70 -0.03 0.00 -1.01 0.00 0.00 57.07 55.26 2h3j s TYR 10 Cb -0.15 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2h3j s TYR 10 CO 0.05 -0.25 0.59 1.03 -1.11 0.00 0.00 175.55 175.86 2h3j s ARG 11 N 0.43 3.55 -0.51 -0.62 0.52 0.12 0.48 118.95 122.93 2h3j s ARG 11 Ca -0.10 -0.11 -0.18 0.00 -0.52 0.00 0.00 55.73 54.81 2h3j s ARG 11 Cb -0.16 -2.61 0.07 0.00 0.52 0.00 0.00 34.95 32.77 2h3j s ARG 11 CO 0.05 0.12 0.58 0.42 0.02 0.00 0.00 175.30 176.48 2h3j s ILE 12 N -2.30 4.96 -0.72 1.52 1.01 0.75 0.02 121.20 126.44 2h3j s ILE 12 Ca 0.43 -0.69 0.26 0.00 0.00 0.00 0.00 60.65 60.64 2h3j s ILE 12 Cb -0.10 -4.28 0.23 0.00 0.01 0.00 0.00 42.46 38.32 2h3j s ILE 12 CO 0.35 -0.78 1.68 1.07 0.00 0.00 0.00 174.94 177.26 2h3j n THR 13 N 5.51 0.52 -3.59 2.92 5.66 -0.46 -0.48 114.28 124.36 2h3j n THR 13 Ca -0.08 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2h3j n THR 13 Cb 0.45 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2h3j n GLY 14 N 1.32 -0.63 3.93 1.09 0.00 -1.16 -4.76 105.19 104.97 2h3j n GLY 14 Ca 0.05 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.96 3.49 0.75 1.61 2.02 -1.26 -0.39 117.35 120.61 2h3j s TYR 15 Ca 0.00 0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 2h3j s TYR 15 Cb 0.00 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2h3j s TYR 15 CO 0.00 0.44 1.08 -1.54 -1.57 0.00 0.00 175.55 173.96 2h3j s SER 16 N -2.99 4.87 0.14 2.29 1.04 -0.60 -4.45 113.70 114.00 2h3j s SER 16 Ca 0.38 1.50 0.21 0.00 0.48 0.00 0.00 55.95 58.51 2h3j s SER 16 Cb -0.11 -2.30 0.85 0.00 0.10 0.00 0.00 66.02 64.56 2h3j s SER 16 CO 0.28 -1.75 1.64 -2.65 0.98 0.00 0.00 173.24 171.74 2h3j n PRO 17 N -3.32 0.12 0.00 4.02 -0.02 -1.26 -2.82 135.00 131.72 2h3j n PRO 17 Ca 0.07 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 2h3j n PRO 17 Cb 0.55 -1.71 0.53 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.66 2.67 -1.97 3.55 0.00 -1.26 -4.88 120.51 116.96 2h3j n ALA 18 Ca 0.03 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 2h3j n ALA 18 Cb 0.23 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.10 3.14 0.06 0.00 2.07 -1.13 -4.98 121.20 118.27 2h3j s ILE 19 Ca 0.36 0.57 -0.00 0.00 -1.41 0.00 0.00 60.65 60.17 2h3j s ILE 19 Cb 0.21 -3.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.39 2h3j s ILE 19 CO 0.37 -0.00 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.92 2h3j s SER 20 N 2.37 0.66 -1.31 4.50 0.01 -1.26 -4.93 113.70 113.74 2h3j s SER 20 Ca 0.73 -0.97 -0.08 0.00 1.31 0.00 0.00 55.95 56.94 2h3j s SER 20 Cb -0.38 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.02 2h3j s SER 20 CO 0.31 -0.54 1.14 -3.20 0.41 0.00 0.00 173.24 171.36 2h3j n ASN 21 N 0.16 -5.80 -0.87 2.44 5.15 -1.26 -2.03 115.26 113.06 2h3j n ASN 21 Ca -0.14 -0.54 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 2h3j n ASN 21 Cb 0.61 -4.95 -0.04 0.00 -0.53 0.00 0.00 39.78 34.87 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h3j n GLY 22 N -1.88 0.93 0.27 8.20 0.00 -1.26 -4.88 105.19 106.57 2h3j n GLY 22 Ca -0.03 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.60 2h3j n GLY 22 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2h3j h TYR 23 N 0.00 0.00 -0.65 1.61 0.05 -1.77 -1.60 116.97 114.60 2h3j h TYR 23 Ca -0.22 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.58 2h3j h TYR 23 Cb 0.77 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 2h3j h TYR 23 CO 0.29 0.09 0.43 -0.09 -1.05 0.00 0.00 178.16 177.83 2h3j h ARG 24 N 0.00 0.82 -0.27 4.88 2.43 -1.90 0.12 114.38 120.46 2h3j h ARG 24 Ca -0.00 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 2h3j h ARG 24 Cb 0.37 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2h3j h ARG 24 CO 0.01 0.54 -0.38 1.96 -1.51 0.00 0.00 179.97 180.60 2h3j h GLN 25 N 0.85 0.62 -0.44 0.20 4.20 -1.68 0.23 115.11 119.09 2h3j h GLN 25 Ca 0.25 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 2h3j h GLN 25 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2h3j h GLN 25 CO -0.06 0.90 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.84 2h3j h ARG 26 N 0.52 0.82 -0.43 1.46 9.65 -1.22 -0.92 114.38 124.27 2h3j h ARG 26 Ca 0.05 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.57 2h3j h ARG 26 Cb 0.88 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 2h3j h ARG 26 CO 0.08 0.92 0.00 -0.07 2.80 0.00 0.00 179.97 183.70 2h3j h LEU 27 N 0.65 0.73 -0.79 3.80 3.38 -0.54 -1.28 115.31 121.27 2h3j h LEU 27 Ca 0.12 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2h3j h LEU 27 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2h3j h LEU 27 CO 0.04 0.86 0.43 0.15 0.09 0.00 0.00 178.44 180.01 2h3j h PHE 28 N 0.59 1.08 -0.56 1.13 3.57 -0.47 0.29 116.94 122.57 2h3j h PHE 28 Ca 0.12 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2h3j h PHE 28 Cb 0.48 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2h3j h PHE 28 CO 0.04 0.75 0.34 0.77 -2.23 0.00 0.00 178.31 177.98 2h3j h SER 29 N 1.09 0.66 0.91 0.41 0.02 -0.90 -2.11 113.55 113.62 2h3j h SER 29 Ca 0.28 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2h3j h SER 29 Cb 0.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2h3j h SER 29 CO -0.05 0.50 -0.25 0.23 -1.14 0.00 0.00 176.83 176.13 2h3j n MET 30 N -4.43 0.09 -0.57 3.45 2.81 -0.45 -4.92 117.12 113.10 2h3j n MET 30 Ca 0.05 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2h3j n MET 30 Cb 0.07 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 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 1.44 1.32 3.26 3.03 0.00 0.12 -5.06 105.19 109.31 2h3j n GLY 31 Ca 0.06 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 5.46 0.06 0.99 1.43 0.79 -4.99 118.68 122.43 2h3j s LEU 32 Ca 0.00 -1.66 0.01 0.00 -1.03 0.00 0.00 54.13 51.45 2h3j s LEU 32 Cb 0.00 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2h3j s LEU 32 CO 0.00 -0.63 -0.05 -1.48 0.23 0.00 0.00 176.35 174.43 2h3j s LEU 33 N 1.43 2.43 0.31 1.79 2.34 -1.26 -3.98 118.68 121.73 2h3j s LEU 33 Ca 0.04 -0.86 -0.29 0.00 0.06 0.00 0.00 54.13 53.07 2h3j s LEU 33 Cb -0.25 0.04 -0.11 0.00 -0.56 0.00 0.00 46.19 45.32 2h3j s LEU 33 CO 0.01 -0.45 1.51 -2.84 -1.06 0.00 0.00 176.35 173.52 2h3j s PRO 34 N -3.20 4.17 0.00 1.48 0.02 -1.26 -3.27 135.00 132.94 2h3j s PRO 34 Ca 0.03 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2h3j s PRO 34 Cb 0.02 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2h3j s PRO 34 CO -0.05 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2h3j n GLY 35 N 1.61 2.23 3.96 0.52 0.00 0.37 -4.98 105.19 108.90 2h3j n GLY 35 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.21 3.04 -0.03 4.61 0.00 -1.20 -4.85 121.76 121.12 2h3j s ALA 36 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 2h3j s ALA 36 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2h3j s ALA 36 CO 0.00 -1.78 0.28 0.00 0.00 0.00 0.00 175.76 174.26 2h3j s ALA 37 N -3.44 -0.70 -0.09 0.00 0.00 -1.26 -0.18 121.76 116.09 2h3j s ALA 37 Ca 0.68 0.34 0.04 0.00 0.00 0.00 0.00 51.96 53.02 2h3j s ALA 37 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2h3j s ALA 37 CO 0.48 -0.23 -0.20 -0.51 0.00 0.00 0.00 175.76 175.29 2h3j s LEU 38 N -1.07 1.95 -0.28 0.00 1.43 0.18 -4.66 118.68 116.23 2h3j s LEU 38 Ca -0.11 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2h3j s LEU 38 Cb -0.05 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2h3j s LEU 38 CO 0.03 0.12 0.27 -0.60 0.23 0.00 0.00 176.35 176.41 2h3j s ARG 39 N 0.42 3.94 0.15 1.70 3.52 0.59 -0.40 118.95 128.87 2h3j s ARG 39 Ca -0.17 -0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 54.92 2h3j s ARG 39 Cb -0.17 -3.67 -0.11 0.00 -1.56 0.00 0.00 34.95 29.44 2h3j s ARG 39 CO 0.07 -0.25 1.75 0.54 -0.81 0.00 0.00 175.30 176.60 2h3j s VAL 40 N 1.90 2.44 -0.22 7.11 0.11 -0.88 0.30 120.40 131.15 2h3j s VAL 40 Ca 0.10 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.13 2h3j s VAL 40 Cb -0.16 -3.09 -0.10 0.00 -1.53 0.00 0.00 36.38 31.51 2h3j s VAL 40 CO 0.11 0.00 -0.28 0.52 -3.33 0.00 0.00 175.10 172.12 2h3j n VAL 41 N 4.41 1.51 0.00 2.04 0.31 0.11 -4.23 118.33 122.48 2h3j n VAL 41 Ca 0.16 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2h3j n VAL 41 Cb 0.37 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 2h3j n VAL 41 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2h3j n ARG 42 N -4.38 0.00 -4.99 5.55 1.85 -0.81 -4.84 116.66 109.04 2h3j n ARG 42 Ca -0.33 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.21 2h3j n ARG 42 Cb 0.67 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.94 2h3j n ARG 42 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2h3j s ILE 43 N -2.00 2.41 0.14 8.89 1.01 -1.26 -1.36 121.20 129.04 2h3j s ILE 43 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 2h3j s ILE 43 Cb 0.00 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 2h3j s ILE 43 CO 0.00 0.47 1.14 0.00 0.00 0.00 0.00 174.94 176.55 2h3j s ALA 44 N -0.75 3.38 0.27 9.38 0.00 -1.26 -4.93 121.76 127.85 2h3j s ALA 44 Ca 0.12 0.84 0.37 0.00 0.00 0.00 0.00 51.96 53.29 2h3j s ALA 44 Cb -0.10 -3.39 1.71 0.00 0.00 0.00 0.00 23.12 21.35 2h3j s ALA 44 CO 0.01 -0.30 2.11 -1.00 0.00 0.00 0.00 175.76 176.58 2h3j h PRO 45 N 5.61 0.00 -0.72 0.00 0.13 -2.00 -2.70 132.00 132.31 2h3j h PRO 45 Ca -0.44 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.83 2h3j h PRO 45 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2h3j h PRO 45 CO 0.75 0.00 0.26 -0.07 -0.23 0.00 0.00 178.00 178.71 2h3j h LEU 46 N 0.00 0.22 0.00 1.56 -0.00 -2.03 -3.46 115.31 111.60 2h3j h LEU 46 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2h3j h LEU 46 Cb 0.34 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2h3j h LEU 46 CO 0.00 0.08 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 2h3j n GLY 47 N -1.32 -2.19 3.52 0.83 0.00 -1.02 -5.15 105.19 99.86 2h3j n GLY 47 Ca 0.13 0.70 0.02 0.00 0.00 0.00 0.00 46.02 46.88 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 0.25 -0.10 0.00 1.61 -4.77 -1.23 -4.80 116.67 107.63 2h3j s ASP 48 Ca 0.00 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.41 2h3j s ASP 48 Cb 0.00 1.07 0.00 0.00 -1.09 0.00 0.00 42.92 42.90 2h3j s ASP 48 CO 0.00 -0.02 0.00 -0.81 0.70 0.00 0.00 175.17 175.04 2h3j n PRO 49 N 3.55 2.07 -3.44 2.11 -0.04 -1.26 -4.69 135.00 133.30 2h3j n PRO 49 Ca -0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.11 2h3j n PRO 49 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.12 -0.31 -0.22 0.52 1.01 -0.50 -4.41 121.20 117.17 2h3j s ILE 50 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 2h3j s ILE 50 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2h3j s ILE 50 CO 0.00 -0.55 0.76 -1.10 0.00 0.00 0.00 174.94 174.05 2h3j s GLN 51 N 2.28 4.20 0.25 2.79 -1.52 -0.46 -3.17 119.66 124.03 2h3j s GLN 51 Ca 0.09 0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 54.33 2h3j s GLN 51 Cb -0.15 -3.62 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 2h3j s GLN 51 CO -0.34 -0.41 0.24 0.14 -0.25 0.00 0.00 175.29 174.67 2h3j s VAL 52 N 2.46 0.00 0.13 1.09 -7.23 0.36 0.08 120.40 117.29 2h3j s VAL 52 Ca 0.33 -1.89 0.10 0.00 -1.81 0.00 0.00 61.98 58.71 2h3j s VAL 52 Cb -0.16 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2h3j s VAL 52 CO 0.09 0.00 -0.24 -0.70 -0.31 0.00 0.00 175.10 173.94 2h3j s GLU 53 N -3.89 1.30 0.00 4.82 -6.30 0.15 0.13 118.70 114.91 2h3j s GLU 53 Ca 0.37 -1.30 0.00 0.00 -2.50 0.00 0.00 54.97 51.53 2h3j s GLU 53 Cb 0.04 -1.67 0.00 0.00 0.00 0.00 0.00 34.13 32.51 2h3j s GLU 53 CO 0.16 0.39 0.00 0.25 0.02 0.00 0.00 175.26 176.07 2h3j n THR 54 N 0.86 0.00 0.00 -1.70 -2.24 -1.06 -0.30 114.28 109.84 2h3j n THR 54 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2h3j n THR 54 Cb 0.54 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.02 0.00 0.00 -0.78 3.00 -1.26 -4.94 116.66 110.67 2h3j n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2h3j n ARG 55 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2h3j n GLN 56 N 0.00 0.00 -3.75 -0.14 1.13 -1.26 -5.05 117.38 108.32 2h3j n GLN 56 Ca 0.00 -0.19 -0.13 0.00 -1.94 0.00 0.00 57.00 54.74 2h3j n GLN 56 Cb 0.00 -0.40 -0.11 0.00 0.11 0.00 0.00 30.24 29.84 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2h3j s THR 57 N 0.00 -0.00 0.40 5.09 -1.32 -1.26 -5.05 115.64 113.50 2h3j s THR 57 Ca 0.00 0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.28 2h3j s THR 57 Cb 0.00 -0.51 -0.11 0.00 -1.51 0.00 0.00 72.50 70.38 2h3j s THR 57 CO 0.00 0.01 0.94 -0.94 -2.21 0.00 0.00 174.62 172.42 2h3j s SER 58 N 0.34 7.02 0.07 8.08 1.04 -1.26 -2.58 113.70 126.41 2h3j s SER 58 Ca -0.01 1.71 0.06 0.00 0.48 0.00 0.00 55.95 58.18 2h3j s SER 58 Cb -0.03 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2h3j s SER 58 CO -0.01 -0.29 -0.15 -0.22 0.98 0.00 0.00 173.24 173.55 2h3j s LEU 59 N -2.93 2.25 0.02 2.42 1.98 0.12 -4.95 118.68 117.59 2h3j s LEU 59 Ca 0.59 -0.58 0.00 0.00 -2.89 0.00 0.00 54.13 51.25 2h3j s LEU 59 Cb -0.11 -0.60 -0.02 0.00 0.66 0.00 0.00 46.19 46.12 2h3j s LEU 59 CO 0.15 -0.02 -0.03 0.00 -1.89 0.00 0.00 176.35 174.56 2h3j s ALA 60 N -1.13 0.13 0.30 5.97 0.00 -1.23 -0.48 121.76 125.31 2h3j s ALA 60 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 2h3j s ALA 60 Cb -0.09 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.20 2h3j s ALA 60 CO 0.02 -0.12 0.81 1.47 0.00 0.00 0.00 175.76 177.95 2h3j n LEU 61 N 1.87 0.00 -4.80 0.00 -0.00 -1.19 -4.91 117.00 107.97 2h3j n LEU 61 Ca -0.22 -2.04 -0.23 0.00 -0.00 0.00 0.00 56.01 53.52 2h3j n LEU 61 Cb 0.56 3.24 -0.05 0.00 -0.00 0.00 0.00 43.42 47.16 2h3j n LEU 61 CO 0.21 -0.68 -0.09 -0.13 -0.00 0.00 0.00 177.39 176.70 2h3j s ARG 62 N -2.07 2.36 0.33 1.47 1.81 -1.26 -1.42 118.95 120.18 2h3j s ARG 62 Ca 0.17 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.50 2h3j s ARG 62 Cb -0.04 -2.15 0.59 0.00 -0.45 0.00 0.00 34.95 32.90 2h3j s ARG 62 CO 0.09 -0.15 1.90 0.07 -0.68 0.00 0.00 175.30 176.53 2h3j h ARG 63 N 1.25 0.63 -0.11 3.54 0.11 -1.90 0.76 114.38 118.65 2h3j h ARG 63 Ca -0.42 -0.11 -0.15 0.00 0.10 0.00 0.00 59.98 59.40 2h3j h ARG 63 Cb 1.26 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 2h3j h ARG 63 CO 0.64 0.57 -0.58 0.87 0.10 0.00 0.00 179.97 181.58 2h3j h LYS 64 N 0.61 0.35 -0.03 0.08 1.57 -1.98 0.38 116.57 117.55 2h3j h LYS 64 Ca 0.14 -0.23 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 2h3j h LYS 64 Cb 0.23 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2h3j h LYS 64 CO -0.00 0.83 -0.91 0.22 -0.57 0.00 0.00 179.45 179.01 2h3j h ASP 65 N 0.26 0.63 0.18 0.86 3.58 -1.86 -2.97 116.42 117.10 2h3j h ASP 65 Ca -0.00 -0.48 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 2h3j h ASP 65 Cb 1.09 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2h3j h ASP 65 CO 0.10 1.27 -0.20 0.25 -2.88 0.00 0.00 179.24 177.77 2h3j h LEU 66 N 0.29 0.04 0.00 2.28 5.85 -0.67 -2.28 115.31 120.83 2h3j h LEU 66 Ca -0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2h3j h LEU 66 Cb 1.54 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.56 2h3j h LEU 66 CO 0.16 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 2h3j n ALA 67 N -2.50 1.55 1.19 1.25 0.00 0.11 -0.65 120.51 121.46 2h3j n ALA 67 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2h3j n ALA 67 Cb 0.28 -1.19 0.31 0.00 0.00 0.00 0.00 19.45 18.84 2h3j n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3j n LEU 68 N -1.49 1.13 -4.42 0.00 4.77 -0.86 -4.67 117.00 111.47 2h3j n LEU 68 Ca 0.03 -0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 55.42 2h3j n LEU 68 Cb 0.14 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 2h3j n LEU 68 CO 0.11 0.22 -0.53 -0.76 -1.33 0.00 0.00 177.39 175.09 2h3j s LEU 69 N -2.54 2.44 -0.20 2.23 1.43 0.18 -1.55 118.68 120.66 2h3j s LEU 69 Ca 0.22 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2h3j s LEU 69 Cb 0.19 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2h3j s LEU 69 CO 0.54 0.13 -0.08 -0.89 0.23 0.00 0.00 176.35 176.29 2h3j s THR 70 N -1.60 3.15 0.01 5.49 2.01 0.48 -4.31 115.64 120.87 2h3j s THR 70 Ca 0.20 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2h3j s THR 70 Cb -0.08 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2h3j s THR 70 CO 0.10 0.45 0.11 -0.76 -0.69 0.00 0.00 174.62 173.82 2h3j s LEU 71 N 1.31 4.00 -0.14 4.42 1.43 -1.26 -1.35 118.68 127.10 2h3j s LEU 71 Ca 0.04 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2h3j s LEU 71 Cb -0.14 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.71 2h3j s LEU 71 CO -0.04 0.25 -0.06 0.68 0.23 0.00 0.00 176.35 177.41 2h3j s VAL 72 N -1.26 1.04 0.83 -1.59 -7.23 0.10 -4.84 120.40 107.45 2h3j s VAL 72 Ca 0.25 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 2h3j s VAL 72 Cb -0.12 -1.14 0.09 0.00 0.56 0.00 0.00 36.38 35.77 2h3j s VAL 72 CO 0.17 0.26 1.09 -2.84 -0.31 0.00 0.00 175.10 173.46 2h3j s PRO 73 N 1.68 1.83 0.14 4.82 0.02 -1.26 0.13 135.00 142.36 2h3j s PRO 73 Ca 0.03 0.91 -0.18 0.00 0.02 0.00 0.00 61.00 61.78 2h3j s PRO 73 Cb -0.14 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 2h3j s PRO 73 CO -0.08 -1.87 1.76 -0.07 -0.33 0.00 0.00 177.00 176.41 2h3j h LEU 74 N -1.28 0.16 -0.04 -5.54 3.38 -1.65 -3.45 115.31 106.89 2h3j h LEU 74 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2h3j h LEU 74 Cb 1.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2h3j h LEU 74 CO 0.54 0.13 0.00 0.47 0.09 0.00 0.00 178.44 179.67