#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 7.19 -4.47 7.83 7.64 -1.26 -4.87 113.62 125.68 2h3j n SER 2 Ca 0.00 -3.43 -0.43 0.00 1.01 0.00 0.00 58.87 56.02 2h3j n SER 2 Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.96 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 -2.62 3.12 -0.52 -0.43 0.00 -1.26 -4.97 121.76 115.08 2h3j s ALA 3 Ca 0.53 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2h3j s ALA 3 Cb 0.33 -4.02 0.13 0.00 0.00 0.00 0.00 23.12 19.57 2h3j s ALA 3 CO -0.24 -2.97 0.29 -1.17 0.00 0.00 0.00 175.76 171.67 2h3j s LEU 4 N 3.89 4.89 -0.41 0.00 2.96 -1.26 -4.96 118.68 123.79 2h3j s LEU 4 Ca 0.29 -2.67 0.01 0.00 -0.22 0.00 0.00 54.13 51.54 2h3j s LEU 4 Cb -0.11 -1.75 0.14 0.00 0.50 0.00 0.00 46.19 44.97 2h3j s LEU 4 CO 0.03 -0.36 0.24 -1.10 -1.32 0.00 0.00 176.35 173.84 2h3j s GLN 5 N 0.20 0.97 0.24 1.98 -1.52 -1.26 -5.12 119.66 115.14 2h3j s GLN 5 Ca 0.15 -1.76 -0.30 0.00 -1.95 0.00 0.00 55.36 51.49 2h3j s GLN 5 Cb -0.22 -1.83 -0.10 0.00 -0.22 0.00 0.00 33.01 30.64 2h3j s GLN 5 CO -0.03 -1.21 1.39 -1.25 -0.25 0.00 0.00 175.29 173.94 2h3j s PRO 6 N 0.58 4.31 0.00 2.91 0.04 -1.26 -4.84 135.00 136.74 2h3j s PRO 6 Ca 0.19 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2h3j s PRO 6 Cb -0.20 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2h3j s PRO 6 CO -0.02 -0.35 0.00 0.45 0.04 0.00 0.00 177.00 177.12 2h3j n SER 7 N 2.36 0.00 -3.61 6.66 2.88 -1.13 -5.03 113.62 115.75 2h3j n SER 7 Ca 0.06 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.37 2h3j n SER 7 Cb 0.41 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.53 0.49 -4.94 -1.46 3.00 -1.26 -5.02 116.66 106.95 2h3j n ARG 8 Ca 0.00 -3.49 -0.33 0.00 -0.01 0.00 0.00 57.85 54.02 2h3j n ARG 8 Cb 0.00 2.40 -0.14 0.00 0.00 0.00 0.00 32.46 34.72 2h3j n ARG 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2h3j s SER 9 N -3.49 3.90 -0.08 0.55 0.01 -1.26 -2.07 113.70 111.26 2h3j s SER 9 Ca 0.32 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.38 2h3j s SER 9 Cb 0.02 -0.85 -0.00 0.00 0.21 0.00 0.00 66.02 65.40 2h3j s SER 9 CO 0.22 0.33 -0.24 -0.31 0.41 0.00 0.00 173.24 173.65 2h3j s TYR 10 N -0.63 2.51 0.10 2.43 1.51 0.51 -0.88 117.35 122.90 2h3j s TYR 10 Ca 0.09 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.19 2h3j s TYR 10 Cb -0.11 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 2h3j s TYR 10 CO 0.01 -0.34 0.33 -0.98 -1.11 0.00 0.00 175.55 173.45 2h3j s ARG 11 N 0.14 3.58 -0.36 -0.62 1.70 0.16 0.49 118.95 124.04 2h3j s ARG 11 Ca -0.13 -0.14 -0.19 0.00 -0.47 0.00 0.00 55.73 54.80 2h3j s ARG 11 Cb -0.16 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 2h3j s ARG 11 CO 0.07 0.53 0.55 0.42 -1.08 0.00 0.00 175.30 175.79 2h3j s ILE 12 N -1.55 4.97 -0.24 4.99 1.01 0.60 -0.75 121.20 130.23 2h3j s ILE 12 Ca 0.37 0.36 0.19 0.00 0.00 0.00 0.00 60.65 61.57 2h3j s ILE 12 Cb -0.13 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.40 2h3j s ILE 12 CO 0.23 -0.28 1.23 0.71 0.00 0.00 0.00 174.94 176.84 2h3j h THR 13 N 5.65 0.33 0.00 2.92 1.35 -1.70 0.00 112.91 121.47 2h3j h THR 13 Ca -0.27 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2h3j h THR 13 Cb 1.12 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2h3j h THR 13 CO 0.80 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2h3j n GLY 14 N 1.22 -0.52 3.84 5.82 0.00 -1.15 -4.69 105.19 109.70 2h3j n GLY 14 Ca -0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.96 2.90 0.16 1.61 1.51 -1.26 -0.68 117.35 117.63 2h3j s TYR 15 Ca 0.00 -0.29 -0.34 0.00 -1.01 0.00 0.00 57.07 55.43 2h3j s TYR 15 Cb 0.00 -1.76 -0.15 0.00 -0.11 0.00 0.00 41.96 39.95 2h3j s TYR 15 CO 0.00 0.22 1.42 0.45 -1.11 0.00 0.00 175.55 176.53 2h3j n SER 16 N -1.34 2.40 0.00 2.29 2.88 0.50 -4.28 113.62 116.07 2h3j n SER 16 Ca -0.02 1.11 0.05 0.00 -1.33 0.00 0.00 58.87 58.68 2h3j n SER 16 Cb 0.60 -1.34 0.25 0.00 -0.75 0.00 0.00 64.21 62.97 2h3j n SER 16 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2h3j n PRO 17 N 2.63 0.16 -0.49 -1.46 -0.02 -1.26 -1.61 135.00 132.96 2h3j n PRO 17 Ca 0.16 0.17 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2h3j n PRO 17 Cb 0.26 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.25 3.07 -1.71 3.55 0.00 -1.26 -5.06 120.51 117.85 2h3j n ALA 18 Ca 0.05 -2.94 -0.34 0.00 0.00 0.00 0.00 53.44 50.21 2h3j n ALA 18 Cb 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.79 3.48 0.16 0.00 2.07 -0.63 -5.05 121.20 118.44 2h3j s ILE 19 Ca 0.34 0.82 0.05 0.00 -1.41 0.00 0.00 60.65 60.46 2h3j s ILE 19 Cb 0.33 -3.31 -0.04 0.00 0.13 0.00 0.00 42.46 39.56 2h3j s ILE 19 CO -0.04 -0.29 -0.11 -0.55 -1.91 0.00 0.00 174.94 172.04 2h3j s SER 20 N -2.20 1.98 1.37 4.50 0.15 -1.26 -5.03 113.70 113.21 2h3j s SER 20 Ca 0.68 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2h3j s SER 20 Cb -0.20 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2h3j s SER 20 CO 0.30 -0.29 0.00 0.59 1.20 0.00 0.00 173.24 175.04 2h3j n ASN 21 N -0.24 0.00 -1.10 5.45 4.13 -1.26 -2.92 115.26 119.32 2h3j n ASN 21 Ca -0.10 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.16 2h3j n ASN 21 Cb 0.61 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.83 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2h3j n GLY 22 N 0.00 0.77 0.23 7.41 0.00 -1.26 -4.87 105.19 107.46 2h3j n GLY 22 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.43 0.00 -0.78 1.61 5.03 -1.95 -1.52 116.97 119.79 2h3j h TYR 23 Ca -0.29 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.09 2h3j h TYR 23 Cb 1.58 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.80 2h3j h TYR 23 CO -0.00 0.22 0.47 -0.09 -1.32 0.00 0.00 178.16 177.44 2h3j h ARG 24 N 0.00 0.82 -0.21 1.82 2.43 -1.89 0.36 114.38 117.70 2h3j h ARG 24 Ca -0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2h3j h ARG 24 Cb 0.46 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2h3j h ARG 24 CO 0.03 0.54 -0.36 1.96 -1.51 0.00 0.00 179.97 180.63 2h3j h GLN 25 N 0.84 0.45 -0.19 0.20 1.08 -1.67 0.34 115.11 116.17 2h3j h GLN 25 Ca 0.35 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2h3j h GLN 25 Cb 0.20 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2h3j h GLN 25 CO -0.19 0.75 0.10 -0.09 -0.95 0.00 0.00 178.83 178.45 2h3j h ARG 26 N 0.38 0.27 -0.50 1.46 9.65 -1.09 -1.28 114.38 123.28 2h3j h ARG 26 Ca 0.04 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2h3j h ARG 26 Cb 0.81 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 2h3j h ARG 26 CO 0.07 0.28 -0.02 -0.07 2.80 0.00 0.00 179.97 183.03 2h3j h LEU 27 N 0.19 0.88 -0.50 3.80 3.38 -0.47 -1.32 115.31 121.27 2h3j h LEU 27 Ca 0.07 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2h3j h LEU 27 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2h3j h LEU 27 CO -0.01 0.98 0.31 0.15 0.09 0.00 0.00 178.44 179.96 2h3j h PHE 28 N 0.75 0.59 -0.30 1.13 3.57 -0.27 0.30 116.94 122.70 2h3j h PHE 28 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2h3j h PHE 28 Cb 0.54 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2h3j h PHE 28 CO 0.04 0.36 -0.08 0.77 -2.23 0.00 0.00 178.31 177.16 2h3j h SER 29 N 0.63 0.47 1.31 0.41 0.02 -1.01 -2.08 113.55 113.31 2h3j h SER 29 Ca 0.19 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2h3j h SER 29 Cb -0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2h3j h SER 29 CO -0.06 0.60 0.00 0.24 -1.14 0.00 0.00 176.83 176.47 2h3j h MET 30 N 0.46 0.00 0.00 3.45 2.86 -0.37 -3.46 114.93 117.87 2h3j h MET 30 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2h3j h MET 30 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 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 0.35 1.14 3.33 8.32 0.00 -0.42 -5.06 105.19 112.85 2h3j n GLY 31 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 6.08 0.08 0.99 1.43 0.91 -4.98 118.68 123.19 2h3j s LEU 32 Ca 0.00 -1.88 -0.05 0.00 -1.03 0.00 0.00 54.13 51.17 2h3j s LEU 32 Cb 0.00 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2h3j s LEU 32 CO 0.00 -0.87 0.10 -1.48 0.23 0.00 0.00 176.35 174.33 2h3j s LEU 33 N 1.62 1.82 0.26 1.79 0.05 -1.26 -3.45 118.68 119.50 2h3j s LEU 33 Ca 0.08 -0.84 -0.31 0.00 0.05 0.00 0.00 54.13 53.11 2h3j s LEU 33 Cb -0.24 0.68 -0.11 0.00 -2.05 0.00 0.00 46.19 44.46 2h3j s LEU 33 CO 0.01 -0.69 1.62 -2.16 -0.55 0.00 0.00 176.35 174.58 2h3j s PRO 34 N -3.91 4.14 0.00 1.48 0.04 -1.26 -2.92 135.00 132.57 2h3j s PRO 34 Ca 0.08 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2h3j s PRO 34 Cb 0.06 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2h3j s PRO 34 CO -0.09 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2h3j n GLY 35 N 2.82 2.16 3.29 0.56 0.00 -0.01 -4.97 105.19 109.04 2h3j n GLY 35 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 0.26 -3.13 4.61 0.00 -1.15 -4.88 120.51 115.61 2h3j n ALA 36 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 53.44 51.64 2h3j n ALA 36 Cb 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.06 -0.69 -0.02 0.00 0.00 -1.26 -0.29 121.76 116.44 2h3j s ALA 37 Ca 0.56 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2h3j s ALA 37 Cb -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2h3j s ALA 37 CO 0.37 -0.31 -0.14 -0.51 0.00 0.00 0.00 175.76 175.17 2h3j s LEU 38 N -1.62 1.95 -0.33 0.00 1.43 0.18 -4.62 118.68 115.67 2h3j s LEU 38 Ca -0.10 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2h3j s LEU 38 Cb -0.04 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 2h3j s LEU 38 CO 0.01 0.15 0.32 -0.60 0.23 0.00 0.00 176.35 176.45 2h3j s ARG 39 N -0.14 3.61 0.10 1.70 3.52 0.14 -0.37 118.95 127.52 2h3j s ARG 39 Ca 0.02 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 54.88 2h3j s ARG 39 Cb -0.07 -3.78 -0.08 0.00 -1.56 0.00 0.00 34.95 29.45 2h3j s ARG 39 CO 0.00 -0.46 1.50 0.54 -0.81 0.00 0.00 175.30 176.08 2h3j s VAL 40 N 1.93 3.11 -0.23 7.11 0.11 -0.88 0.01 120.40 131.56 2h3j s VAL 40 Ca 0.10 0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 59.71 2h3j s VAL 40 Cb -0.17 -3.46 -0.10 0.00 -1.53 0.00 0.00 36.38 31.12 2h3j s VAL 40 CO 0.11 0.03 -0.31 0.52 -3.33 0.00 0.00 175.10 172.12 2h3j n VAL 41 N 4.24 1.52 -3.66 2.04 0.31 0.15 -2.84 118.33 120.09 2h3j n VAL 41 Ca 0.13 -0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2h3j n VAL 41 Cb 0.41 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.63 0.71 -0.35 5.55 0.52 -0.48 -4.41 118.95 117.86 2h3j s ARG 42 Ca -0.34 0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 55.75 2h3j s ARG 42 Cb 0.10 0.31 0.07 0.00 0.52 0.00 0.00 34.95 35.95 2h3j s ARG 42 CO 0.46 -0.10 0.11 0.42 0.02 0.00 0.00 175.30 176.21 2h3j s ILE 43 N 0.55 3.37 0.11 1.52 1.09 -1.26 -0.44 121.20 126.14 2h3j s ILE 43 Ca -0.02 -1.52 -0.35 0.00 -1.10 0.00 0.00 60.65 57.66 2h3j s ILE 43 Cb -0.05 -3.05 -0.15 0.00 -1.06 0.00 0.00 42.46 38.16 2h3j s ILE 43 CO -0.02 -0.33 1.54 0.00 -0.10 0.00 0.00 174.94 176.03 2h3j n ALA 44 N 4.68 0.64 0.09 9.38 0.00 -1.25 -4.80 120.51 129.25 2h3j n ALA 44 Ca -0.09 0.45 0.01 0.00 0.00 0.00 0.00 53.44 53.81 2h3j n ALA 44 Cb 0.43 -2.28 0.05 0.00 0.00 0.00 0.00 19.45 17.64 2h3j n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2h3j n PRO 45 N 3.50 0.02 -0.06 0.00 -0.04 -1.26 -1.20 135.00 135.96 2h3j n PRO 45 Ca 0.18 0.30 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 2h3j n PRO 45 Cb 0.26 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.50 0.00 1.53 -0.00 -2.02 -3.47 115.31 111.86 2h3j h LEU 46 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2h3j h LEU 46 Cb 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2h3j h LEU 46 CO 0.00 0.35 0.00 0.61 -0.00 0.00 0.00 178.44 179.40 2h3j n GLY 47 N -1.48 -1.37 3.24 0.83 0.00 -0.34 -5.10 105.19 100.97 2h3j n GLY 47 Ca 0.06 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.52 -0.22 0.36 1.61 -1.08 -1.23 -4.79 116.67 108.80 2h3j s ASP 48 Ca 0.00 0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.41 2h3j s ASP 48 Cb 0.00 1.25 -0.05 0.00 -1.46 0.00 0.00 42.92 42.65 2h3j s ASP 48 CO 0.00 -0.04 0.06 -2.16 0.52 0.00 0.00 175.17 173.55 2h3j s PRO 49 N 2.18 2.13 -0.37 4.34 0.04 -1.26 -4.76 135.00 137.30 2h3j s PRO 49 Ca -0.00 -1.78 0.01 0.00 0.04 0.00 0.00 61.00 59.27 2h3j s PRO 49 Cb -0.02 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.68 2h3j s PRO 49 CO -0.17 0.07 0.12 0.42 0.04 0.00 0.00 177.00 177.48 2h3j s ILE 50 N -2.54 2.74 -0.34 0.56 1.01 0.19 -3.76 121.20 119.05 2h3j s ILE 50 Ca 0.36 -2.19 -0.19 0.00 0.00 0.00 0.00 60.65 58.63 2h3j s ILE 50 Cb 0.01 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 2h3j s ILE 50 CO 0.20 -0.62 0.55 -1.10 0.00 0.00 0.00 174.94 173.97 2h3j s GLN 51 N 1.02 3.68 0.31 2.79 -0.21 0.42 -2.02 119.66 125.65 2h3j s GLN 51 Ca 0.09 -0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.45 2h3j s GLN 51 Cb -0.21 -3.79 -0.05 0.00 1.00 0.00 0.00 33.01 29.96 2h3j s GLN 51 CO -0.06 -0.64 0.10 0.14 -2.12 0.00 0.00 175.29 172.71 2h3j s VAL 52 N 2.47 0.77 -0.03 1.09 -7.23 0.50 0.34 120.40 118.31 2h3j s VAL 52 Ca 0.21 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2h3j s VAL 52 Cb -0.15 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2h3j s VAL 52 CO 0.13 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.17 2h3j s GLU 53 N -3.90 0.71 0.00 4.82 -6.30 0.10 0.31 118.70 114.44 2h3j s GLU 53 Ca 0.35 -0.15 0.00 0.00 -2.50 0.00 0.00 54.97 52.66 2h3j s GLU 53 Cb 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 34.13 33.49 2h3j s GLU 53 CO 0.15 0.01 0.00 2.41 0.02 0.00 0.00 175.26 177.85 2h3j n THR 54 N 3.61 0.00 -1.67 -1.70 -1.04 -0.32 0.27 114.28 113.42 2h3j n THR 54 Ca -0.21 0.35 -0.01 0.00 -2.04 0.00 0.00 64.05 62.13 2h3j n THR 54 Cb 0.53 -1.09 -0.01 0.00 -1.82 0.00 0.00 70.33 67.94 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 -1.64 0.00 0.00 -2.82 0.00 -1.26 -4.62 116.66 106.32 2h3j n ARG 55 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 2h3j n ARG 55 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 32.46 32.63 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 0.00 0.00 -4.42 -0.14 7.27 -1.26 -5.15 117.38 113.68 2h3j n GLN 56 Ca -0.06 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.81 2h3j n GLN 56 Cb 0.38 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.89 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2h3j s THR 57 N 0.00 1.06 0.01 1.69 -1.32 -1.26 -5.14 115.64 110.67 2h3j s THR 57 Ca 0.00 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 2h3j s THR 57 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 2h3j s THR 57 CO 0.00 0.09 0.11 -0.55 -2.21 0.00 0.00 174.62 172.06 2h3j s SER 58 N -0.87 5.85 0.28 8.08 0.15 -1.26 -1.18 113.70 124.75 2h3j s SER 58 Ca 0.02 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.90 2h3j s SER 58 Cb -0.07 -1.71 -0.06 0.00 -1.71 0.00 0.00 66.02 62.47 2h3j s SER 58 CO 0.01 0.26 0.00 -0.76 1.20 0.00 0.00 173.24 173.94 2h3j s LEU 59 N -1.88 2.28 -0.14 3.45 2.01 0.15 -4.96 118.68 119.59 2h3j s LEU 59 Ca 0.25 -1.27 -0.09 0.00 0.01 0.00 0.00 54.13 53.03 2h3j s LEU 59 Cb -0.12 -0.43 0.05 0.00 0.01 0.00 0.00 46.19 45.70 2h3j s LEU 59 CO 0.16 -0.50 0.34 0.00 1.01 0.00 0.00 176.35 177.37 2h3j s ALA 60 N -3.25 -0.84 0.30 4.21 0.00 -1.24 -0.37 121.76 120.58 2h3j s ALA 60 Ca 0.32 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.35 2h3j s ALA 60 Cb 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2h3j s ALA 60 CO 0.12 -0.21 0.52 -0.48 0.00 0.00 0.00 175.76 175.72 2h3j s LEU 61 N 0.88 0.53 0.37 0.00 2.34 -0.85 -4.88 118.68 117.06 2h3j s LEU 61 Ca -0.06 -1.16 0.07 0.00 0.06 0.00 0.00 54.13 53.04 2h3j s LEU 61 Cb -0.07 1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 47.36 2h3j s LEU 61 CO -0.06 -1.28 0.37 -0.13 -1.06 0.00 0.00 176.35 174.19 2h3j s ARG 62 N -3.42 2.73 0.17 1.48 3.00 -1.26 0.53 118.95 122.18 2h3j s ARG 62 Ca 0.24 -1.32 -0.25 0.00 0.00 0.00 0.00 55.73 54.40 2h3j s ARG 62 Cb -0.01 -2.52 0.05 0.00 0.00 0.00 0.00 34.95 32.46 2h3j s ARG 62 CO 0.13 -0.04 1.56 0.00 0.00 0.00 0.00 175.30 176.96 2h3j h ARG 63 N 1.07 -0.18 -1.00 3.54 3.08 -1.96 -0.44 114.38 118.49 2h3j h ARG 63 Ca -0.43 0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.72 2h3j h ARG 63 Cb 1.26 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 2h3j h ARG 63 CO 0.56 -0.12 0.64 -0.22 -1.07 0.00 0.00 179.97 179.76 2h3j h LYS 64 N -0.18 1.05 -0.04 0.04 3.64 -1.99 -0.68 116.57 118.41 2h3j h LYS 64 Ca 0.19 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2h3j h LYS 64 Cb 0.55 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2h3j h LYS 64 CO -0.75 0.70 -0.53 0.22 -2.27 0.00 0.00 179.45 176.82 2h3j h ASP 65 N 1.08 0.12 -0.44 4.20 3.58 -1.65 -2.60 116.42 120.72 2h3j h ASP 65 Ca 0.46 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.72 2h3j h ASP 65 Cb 0.32 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2h3j h ASP 65 CO -0.22 0.63 -0.23 0.25 -2.88 0.00 0.00 179.24 176.79 2h3j h LEU 66 N 0.09 0.98 -0.99 2.28 5.85 0.29 -2.94 115.31 120.87 2h3j h LEU 66 Ca -0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2h3j h LEU 66 Cb 0.97 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2h3j h LEU 66 CO 0.08 1.16 0.00 0.00 -0.34 0.00 0.00 178.44 179.34 2h3j n ALA 67 N -2.52 1.28 0.49 1.25 0.00 -0.52 -0.55 120.51 119.94 2h3j n ALA 67 Ca -0.00 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2h3j n ALA 67 Cb 0.46 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.92 2h3j n ALA 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h3j h LEU 68 N 0.00 0.00 -9.49 0.00 3.38 -1.47 -3.41 115.31 104.33 2h3j h LEU 68 Ca 0.00 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2h3j h LEU 68 Cb 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2h3j h LEU 68 CO 0.00 0.00 -0.66 -0.76 0.09 0.00 0.00 178.44 177.11 2h3j s LEU 69 N -5.07 3.44 -0.31 1.67 1.43 0.28 -0.37 118.68 119.75 2h3j s LEU 69 Ca 0.09 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 2h3j s LEU 69 Cb 0.10 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2h3j s LEU 69 CO 0.63 0.15 0.10 -0.89 0.23 0.00 0.00 176.35 176.57 2h3j s THR 70 N -1.43 4.10 -0.04 5.49 2.01 0.15 -4.39 115.64 121.53 2h3j s THR 70 Ca 0.26 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.63 2h3j s THR 70 Cb -0.11 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2h3j s THR 70 CO 0.19 0.04 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.17 2h3j s LEU 71 N 1.51 2.02 -0.03 4.42 1.43 -1.26 -1.92 118.68 124.86 2h3j s LEU 71 Ca 0.03 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2h3j s LEU 71 Cb -0.17 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2h3j s LEU 71 CO 0.03 0.24 -0.15 0.68 0.23 0.00 0.00 176.35 177.38 2h3j s VAL 72 N -0.29 1.23 0.87 -1.59 -7.23 0.07 -4.96 120.40 108.51 2h3j s VAL 72 Ca 0.02 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.45 2h3j s VAL 72 Cb -0.11 -1.05 0.12 0.00 0.56 0.00 0.00 36.38 35.89 2h3j s VAL 72 CO 0.01 0.36 1.09 -2.84 -0.31 0.00 0.00 175.10 173.41 2h3j s PRO 73 N -0.07 1.43 0.06 4.82 0.02 -1.26 0.38 135.00 140.38 2h3j s PRO 73 Ca -0.00 1.01 -0.09 0.00 0.02 0.00 0.00 61.00 61.94 2h3j s PRO 73 Cb -0.09 -1.81 -0.29 0.00 0.02 0.00 0.00 34.50 32.33 2h3j s PRO 73 CO 0.01 -2.18 1.11 -0.07 -0.33 0.00 0.00 177.00 175.54 2h3j h LEU 74 N -1.51 0.61 -1.24 -5.54 3.38 -1.38 -3.43 115.31 106.21 2h3j h LEU 74 Ca -0.48 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 56.87 2h3j h LEU 74 Cb 1.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2h3j h LEU 74 CO 0.52 1.48 0.00 -0.67 0.09 0.00 0.00 178.44 179.86