#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 -7.65 -4.56 7.83 7.64 -1.26 -4.84 113.62 110.79 2h3j n SER 2 Ca 0.00 1.08 -0.33 0.00 1.01 0.00 0.00 58.87 60.62 2h3j n SER 2 Cb 0.00 -5.10 -0.04 0.00 -1.01 0.00 0.00 64.21 58.06 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 -1.86 2.05 -0.37 -0.43 0.00 -1.26 -4.93 121.76 114.96 2h3j s ALA 3 Ca 0.08 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 2h3j s ALA 3 Cb -0.02 -4.46 0.06 0.00 0.00 0.00 0.00 23.12 18.70 2h3j s ALA 3 CO 0.73 -4.26 0.16 -0.51 0.00 0.00 0.00 175.76 171.88 2h3j s LEU 4 N 8.69 4.68 -0.53 0.00 1.43 -1.26 -5.02 118.68 126.67 2h3j s LEU 4 Ca 0.63 -1.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2h3j s LEU 4 Cb -0.07 -1.88 0.14 0.00 0.03 0.00 0.00 46.19 44.40 2h3j s LEU 4 CO 0.05 -0.42 0.30 0.00 0.23 0.00 0.00 176.35 176.51 2h3j s GLN 5 N 1.36 1.88 0.53 1.70 -2.07 -1.26 -5.11 119.66 116.69 2h3j s GLN 5 Ca 0.01 -2.60 -0.19 0.00 -1.82 0.00 0.00 55.36 50.75 2h3j s GLN 5 Cb -0.21 -3.08 -0.06 0.00 -1.09 0.00 0.00 33.01 28.57 2h3j s GLN 5 CO 0.01 -1.16 1.11 -2.14 -1.32 0.00 0.00 175.29 171.79 2h3j s PRO 6 N -0.34 3.44 0.00 9.60 0.02 -1.26 -4.84 135.00 141.62 2h3j s PRO 6 Ca 0.19 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2h3j s PRO 6 Cb -0.21 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2h3j s PRO 6 CO -0.03 -0.76 0.00 0.45 -0.33 0.00 0.00 177.00 176.32 2h3j n SER 7 N -1.27 0.00 -3.78 2.53 2.88 -1.19 -5.05 113.62 107.73 2h3j n SER 7 Ca 0.11 0.11 -0.24 0.00 -1.33 0.00 0.00 58.87 57.52 2h3j n SER 7 Cb 0.51 -0.29 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.59 1.92 -0.08 -1.46 0.52 -1.26 -5.03 118.95 112.97 2h3j s ARG 8 Ca 0.00 -2.17 0.03 0.00 -0.52 0.00 0.00 55.73 53.07 2h3j s ARG 8 Cb 0.00 -0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.22 2h3j s ARG 8 CO 0.00 -0.58 -0.18 -1.12 0.02 0.00 0.00 175.30 173.44 2h3j s SER 9 N -3.55 2.41 0.10 0.23 0.01 -1.26 -2.05 113.70 109.58 2h3j s SER 9 Ca 0.28 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.19 2h3j s SER 9 Cb 0.02 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 2h3j s SER 9 CO 0.20 0.09 -0.13 -0.31 0.41 0.00 0.00 173.24 173.50 2h3j s TYR 10 N 0.54 2.68 0.13 2.43 1.51 0.05 -2.44 117.35 122.25 2h3j s TYR 10 Ca -0.16 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2h3j s TYR 10 Cb -0.17 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 2h3j s TYR 10 CO 0.06 0.40 0.12 1.03 -1.11 0.00 0.00 175.55 176.04 2h3j s ARG 11 N -2.08 2.91 -0.49 -0.62 0.52 0.14 -0.59 118.95 118.75 2h3j s ARG 11 Ca 0.20 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.43 2h3j s ARG 11 Cb -0.11 -2.68 0.06 0.00 0.52 0.00 0.00 34.95 32.74 2h3j s ARG 11 CO 0.12 0.51 0.50 0.42 0.02 0.00 0.00 175.30 176.87 2h3j s ILE 12 N -1.63 5.06 0.34 1.52 1.01 -0.21 -0.83 121.20 126.46 2h3j s ILE 12 Ca 0.30 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 60.28 2h3j s ILE 12 Cb -0.11 -4.20 0.08 0.00 0.01 0.00 0.00 42.46 38.24 2h3j s ILE 12 CO 0.23 -0.67 1.78 0.74 0.00 0.00 0.00 174.94 177.02 2h3j h THR 13 N 5.80 1.27 0.00 2.92 2.02 -1.54 0.41 112.91 123.80 2h3j h THR 13 Ca -0.28 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2h3j h THR 13 Cb 1.10 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2h3j h THR 13 CO 0.91 0.39 0.00 0.61 0.37 0.00 0.00 175.52 177.80 2h3j n GLY 14 N -0.40 -0.49 3.98 2.16 0.00 -1.10 -4.54 105.19 104.79 2h3j n GLY 14 Ca -0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.65 3.30 0.16 1.61 2.02 -1.26 -0.75 117.35 118.78 2h3j s TYR 15 Ca 0.00 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 2h3j s TYR 15 Cb 0.00 -1.80 -0.08 0.00 -0.40 0.00 0.00 41.96 39.68 2h3j s TYR 15 CO 0.00 0.20 1.33 0.45 -1.57 0.00 0.00 175.55 175.96 2h3j s SER 16 N -4.07 6.88 0.00 2.29 0.15 0.58 -4.27 113.70 115.26 2h3j s SER 16 Ca 0.40 2.36 0.05 0.00 0.70 0.00 0.00 55.95 59.45 2h3j s SER 16 Cb -0.09 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.86 2h3j s SER 16 CO 0.31 -0.57 1.05 -0.81 1.20 0.00 0.00 173.24 174.42 2h3j n PRO 17 N 3.14 0.05 -0.04 5.44 -0.04 -1.26 -0.99 135.00 141.30 2h3j n PRO 17 Ca 0.08 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2h3j n PRO 17 Cb 0.43 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.81 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h3j n ALA 18 N -1.35 2.54 -1.78 0.55 0.00 -1.26 -4.92 120.51 114.28 2h3j n ALA 18 Ca 0.02 -0.52 -0.36 0.00 0.00 0.00 0.00 53.44 52.58 2h3j n ALA 18 Cb 0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.90 3.73 0.35 0.00 2.07 -0.16 -5.04 121.20 120.24 2h3j s ILE 19 Ca 0.35 1.27 -0.14 0.00 -1.41 0.00 0.00 60.65 60.73 2h3j s ILE 19 Cb 0.20 -3.63 0.05 0.00 0.13 0.00 0.00 42.46 39.21 2h3j s ILE 19 CO 0.31 -0.04 0.73 -0.24 -1.91 0.00 0.00 174.94 173.78 2h3j n SER 20 N -0.24 -2.06 0.00 4.50 2.88 -1.26 -4.96 113.62 112.48 2h3j n SER 20 Ca 0.06 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.18 2h3j n SER 20 Cb 0.50 3.43 0.00 0.00 -0.75 0.00 0.00 64.21 67.39 2h3j n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2h3j n ASN 21 N -1.47 -3.24 0.00 -3.46 5.15 -1.26 -2.60 115.26 108.38 2h3j n ASN 21 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2h3j n ASN 21 Cb 0.54 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 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 -1.38 0.69 0.27 8.20 0.00 -1.26 -4.93 105.19 106.78 2h3j n GLY 22 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -0.43 1.61 5.03 -1.90 -1.83 116.97 119.45 2h3j h TYR 23 Ca 0.00 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.39 2h3j h TYR 23 Cb 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.21 2h3j h TYR 23 CO 0.00 0.11 0.01 -0.09 -1.32 0.00 0.00 178.16 176.87 2h3j h ARG 24 N 0.00 0.12 0.00 1.82 2.43 -1.92 0.20 114.38 117.03 2h3j h ARG 24 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2h3j h ARG 24 Cb 0.35 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2h3j h ARG 24 CO 0.01 0.08 -0.20 1.96 -1.51 0.00 0.00 179.97 180.31 2h3j h GLN 25 N 0.12 0.00 -0.09 0.20 4.20 -1.74 0.13 115.11 117.93 2h3j h GLN 25 Ca 0.22 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.71 2h3j h GLN 25 Cb 0.31 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.10 2h3j h GLN 25 CO -0.35 0.20 -0.79 -0.09 -0.67 0.00 0.00 178.83 177.13 2h3j h ARG 26 N 0.00 0.70 -0.45 1.46 9.65 -1.15 -2.48 114.38 122.11 2h3j h ARG 26 Ca -0.00 -0.63 -0.09 0.00 -1.10 0.00 0.00 59.98 58.16 2h3j h ARG 26 Cb 0.41 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2h3j h ARG 26 CO 0.03 1.23 -0.06 -0.07 2.80 0.00 0.00 179.97 183.90 2h3j h LEU 27 N 0.38 0.83 -0.70 3.80 3.38 0.10 -0.98 115.31 122.13 2h3j h LEU 27 Ca -0.07 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2h3j h LEU 27 Cb 1.44 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2h3j h LEU 27 CO 0.16 0.98 0.46 0.15 0.09 0.00 0.00 178.44 180.27 2h3j h PHE 28 N 0.68 0.86 -0.06 1.13 3.57 -0.76 0.13 116.94 122.49 2h3j h PHE 28 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2h3j h PHE 28 Cb 0.58 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2h3j h PHE 28 CO 0.04 0.53 -0.12 0.77 -2.23 0.00 0.00 178.31 177.31 2h3j h SER 29 N 0.93 0.08 1.60 0.41 0.02 -1.11 -1.58 113.55 113.89 2h3j h SER 29 Ca 0.26 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2h3j h SER 29 Cb -0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2h3j h SER 29 CO -0.07 0.21 -0.02 0.24 -1.14 0.00 0.00 176.83 176.06 2h3j h MET 30 N 0.08 0.00 0.00 3.45 2.86 -0.04 -3.47 114.93 117.82 2h3j h MET 30 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2h3j h MET 30 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 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 1.25 1.24 3.29 8.32 0.00 -0.45 -5.07 105.19 113.78 2h3j n GLY 31 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 0.11 0.99 1.43 0.33 -4.98 118.68 122.64 2h3j s LEU 32 Ca 0.00 -1.81 0.04 0.00 -1.03 0.00 0.00 54.13 51.34 2h3j s LEU 32 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2h3j s LEU 32 CO 0.00 -0.82 -0.11 -1.48 0.23 0.00 0.00 176.35 174.17 2h3j s LEU 33 N 1.55 2.43 0.08 1.79 2.34 -1.26 -3.35 118.68 122.25 2h3j s LEU 33 Ca 0.04 -0.85 -0.31 0.00 0.06 0.00 0.00 54.13 53.07 2h3j s LEU 33 Cb -0.29 -0.37 -0.08 0.00 -0.56 0.00 0.00 46.19 44.88 2h3j s LEU 33 CO 0.02 -0.25 1.65 -2.84 -1.06 0.00 0.00 176.35 173.87 2h3j s PRO 34 N -2.96 4.20 0.00 1.48 0.02 -1.26 -2.78 135.00 133.70 2h3j s PRO 34 Ca 0.09 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.44 2h3j s PRO 34 Cb -0.02 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.93 2h3j s PRO 34 CO 0.01 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 2h3j n GLY 35 N 3.98 0.74 1.09 0.52 0.00 0.15 -4.95 105.19 106.71 2h3j n GLY 35 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.05 -0.10 -3.50 4.61 0.00 -1.12 -4.84 120.51 114.52 2h3j n ALA 36 Ca 0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.75 2h3j n ALA 36 Cb 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.24 -1.60 -0.00 0.00 0.00 -1.26 -1.05 121.76 114.61 2h3j s ALA 37 Ca 0.20 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2h3j s ALA 37 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2h3j s ALA 37 CO 0.13 -0.34 -0.03 -0.51 0.00 0.00 0.00 175.76 175.02 2h3j s LEU 38 N -0.73 1.99 -0.23 0.00 1.43 0.24 -4.80 118.68 116.58 2h3j s LEU 38 Ca -0.08 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2h3j s LEU 38 Cb -0.02 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 2h3j s LEU 38 CO 0.06 0.03 0.13 -0.60 0.23 0.00 0.00 176.35 176.21 2h3j s ARG 39 N -0.05 3.98 -0.12 1.70 3.52 -1.18 -0.77 118.95 126.02 2h3j s ARG 39 Ca 0.01 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 2h3j s ARG 39 Cb -0.01 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 2h3j s ARG 39 CO -0.00 0.05 1.21 0.54 -0.81 0.00 0.00 175.30 176.28 2h3j s VAL 40 N 1.06 4.32 -0.21 7.11 0.11 -0.87 -1.96 120.40 129.95 2h3j s VAL 40 Ca 0.06 1.62 -0.17 0.00 -2.93 0.00 0.00 61.98 60.56 2h3j s VAL 40 Cb -0.14 -4.04 -0.13 0.00 -1.53 0.00 0.00 36.38 30.54 2h3j s VAL 40 CO 0.04 -0.07 -0.07 0.52 -3.33 0.00 0.00 175.10 172.19 2h3j n VAL 41 N 4.98 1.51 -3.72 2.04 0.31 0.17 -3.19 118.33 120.43 2h3j n VAL 41 Ca 0.12 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2h3j n VAL 41 Cb 0.46 -2.10 -0.09 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.44 0.55 0.03 5.55 0.52 -0.56 -4.35 118.95 118.25 2h3j s ARG 42 Ca -0.29 0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.60 2h3j s ARG 42 Cb 0.07 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.78 2h3j s ARG 42 CO 0.48 -0.07 -0.18 0.42 0.02 0.00 0.00 175.30 175.96 2h3j s ILE 43 N 0.18 2.76 0.17 1.52 1.09 -1.26 -0.38 121.20 125.27 2h3j s ILE 43 Ca -0.00 -1.13 -0.28 0.00 -1.10 0.00 0.00 60.65 58.13 2h3j s ILE 43 Cb -0.03 -2.14 -0.08 0.00 -1.06 0.00 0.00 42.46 39.15 2h3j s ILE 43 CO 0.01 0.38 0.87 0.00 -0.10 0.00 0.00 174.94 176.10 2h3j s ALA 44 N -0.88 3.36 -1.47 9.38 0.00 -1.26 -4.93 121.76 125.96 2h3j s ALA 44 Ca 0.14 0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2h3j s ALA 44 Cb -0.10 -3.11 0.48 0.00 0.00 0.00 0.00 23.12 20.38 2h3j s ALA 44 CO 0.04 0.18 1.17 -0.35 0.00 0.00 0.00 175.76 176.80 2h3j n PRO 45 N 1.92 0.14 -0.05 0.00 -0.04 -1.26 -1.77 135.00 133.94 2h3j n PRO 45 Ca -0.03 0.18 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2h3j n PRO 45 Cb 0.48 -1.50 0.20 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 0.63 0.00 1.53 -0.00 -2.03 -3.48 115.31 111.97 2h3j h LEU 46 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2h3j h LEU 46 Cb 0.08 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2h3j h LEU 46 CO 0.00 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 2h3j n GLY 47 N -0.61 -0.92 3.34 0.83 0.00 -0.73 -5.10 105.19 101.99 2h3j n GLY 47 Ca 0.01 0.35 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.00 -0.42 0.19 1.61 -1.08 -1.26 -4.72 116.67 107.99 2h3j s ASP 48 Ca 0.00 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 2h3j s ASP 48 Cb 0.00 1.53 0.00 0.00 -1.46 0.00 0.00 42.92 42.99 2h3j s ASP 48 CO 0.00 -0.23 0.01 -0.81 0.52 0.00 0.00 175.17 174.66 2h3j n PRO 49 N 5.40 1.53 -3.50 4.34 -0.04 -1.26 -4.73 135.00 136.74 2h3j n PRO 49 Ca -0.09 -1.35 -0.25 0.00 -0.04 0.00 0.00 63.50 61.77 2h3j n PRO 49 Cb 0.49 0.35 -0.14 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.64 -0.17 -0.40 0.52 1.01 -0.16 -4.45 121.20 115.92 2h3j s ILE 50 Ca 0.01 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 2h3j s ILE 50 Cb -0.00 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.53 2h3j s ILE 50 CO 0.00 -0.62 0.80 -1.58 0.00 0.00 0.00 174.94 173.54 2h3j s GLN 51 N 2.18 3.62 0.31 2.79 -0.44 0.48 -2.62 119.66 125.99 2h3j s GLN 51 Ca 0.09 0.16 0.03 0.00 -2.50 0.00 0.00 55.36 53.13 2h3j s GLN 51 Cb -0.15 -3.86 -0.01 0.00 -1.64 0.00 0.00 33.01 27.34 2h3j s GLN 51 CO -0.34 -0.97 0.10 1.33 0.50 0.00 0.00 175.29 175.91 2h3j n VAL 52 N 5.96 0.00 -4.24 1.34 0.24 0.12 0.42 118.33 122.16 2h3j n VAL 52 Ca 0.03 -1.78 -0.20 0.00 -2.04 0.00 0.00 64.34 60.35 2h3j n VAL 52 Cb 0.48 0.61 -0.16 0.00 -1.47 0.00 0.00 33.84 33.30 2h3j n VAL 52 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2h3j s GLU 53 N -3.19 0.87 0.17 7.34 2.12 -0.83 0.09 118.70 125.28 2h3j s GLU 53 Ca 0.14 -0.18 0.06 0.00 0.36 0.00 0.00 54.97 55.35 2h3j s GLU 53 Cb 0.01 -0.84 -0.00 0.00 0.26 0.00 0.00 34.13 33.56 2h3j s GLU 53 CO 0.10 -0.01 1.39 1.15 -0.54 0.00 0.00 175.26 177.35 2h3j h THR 54 N 5.87 1.57 0.00 -1.70 2.02 -1.68 -3.13 112.91 115.87 2h3j h THR 54 Ca -0.36 -2.83 0.00 0.00 0.77 0.00 0.00 66.41 63.99 2h3j h THR 54 Cb 1.16 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 2h3j h THR 54 CO 0.48 0.81 0.00 -2.11 0.37 0.00 0.00 175.52 175.07 2h3j n ARG 55 N -3.57 0.00 0.00 6.66 1.85 -1.26 -4.87 116.66 115.47 2h3j n ARG 55 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2h3j n ARG 55 Cb 0.82 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.23 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 -3.71 2.89 0.00 -1.26 -5.12 117.38 110.18 2h3j n GLN 56 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 2h3j n GLN 56 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 30.24 30.06 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 -1.00 5.28 0.35 1.69 -1.32 -1.26 -5.08 115.64 114.29 2h3j s THR 57 Ca 0.00 0.40 -0.23 0.00 -1.21 0.00 0.00 61.69 60.65 2h3j s THR 57 Cb 0.00 -3.56 -0.10 0.00 -1.51 0.00 0.00 72.50 67.33 2h3j s THR 57 CO 0.00 0.51 0.91 -0.44 -2.21 0.00 0.00 174.62 173.39 2h3j s SER 58 N -1.30 7.14 0.07 8.08 0.01 -1.26 -1.84 113.70 124.60 2h3j s SER 58 Ca 0.23 1.71 -0.00 0.00 1.31 0.00 0.00 55.95 59.19 2h3j s SER 58 Cb -0.14 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2h3j s SER 58 CO 0.11 -0.16 -0.04 -0.22 0.41 0.00 0.00 173.24 173.34 2h3j s LEU 59 N -2.48 2.49 0.05 2.44 2.96 0.11 -4.93 118.68 119.33 2h3j s LEU 59 Ca 0.54 -1.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2h3j s LEU 59 Cb -0.15 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 2h3j s LEU 59 CO 0.19 -0.55 -0.04 0.00 -1.32 0.00 0.00 176.35 174.63 2h3j s ALA 60 N -3.80 0.51 0.23 5.97 0.00 -1.25 0.11 121.76 123.52 2h3j s ALA 60 Ca 0.08 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2h3j s ALA 60 Cb 0.07 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.43 2h3j s ALA 60 CO -0.08 -0.27 0.78 -0.48 0.00 0.00 0.00 175.76 175.71 2h3j s LEU 61 N -2.49 -0.27 0.40 0.00 0.05 -1.08 -4.93 118.68 110.37 2h3j s LEU 61 Ca 0.01 -0.48 0.08 0.00 0.05 0.00 0.00 54.13 53.78 2h3j s LEU 61 Cb 0.02 2.55 -0.03 0.00 -2.05 0.00 0.00 46.19 46.67 2h3j s LEU 61 CO -0.06 -1.18 0.29 -0.13 -0.55 0.00 0.00 176.35 174.72 2h3j s ARG 62 N -3.72 2.44 0.44 1.48 3.00 -1.26 -0.99 118.95 120.34 2h3j s ARG 62 Ca 0.10 -1.61 0.12 0.00 0.00 0.00 0.00 55.73 54.34 2h3j s ARG 62 Cb -0.04 -2.24 1.00 0.00 0.00 0.00 0.00 34.95 33.66 2h3j s ARG 62 CO 0.04 -0.11 2.04 0.07 0.00 0.00 0.00 175.30 177.33 2h3j h ARG 63 N 1.22 0.40 -0.41 3.54 -0.00 -1.93 0.10 114.38 117.31 2h3j h ARG 63 Ca -0.42 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 59.50 2h3j h ARG 63 Cb 1.26 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 31.12 2h3j h ARG 63 CO 0.62 0.26 0.13 -0.22 -0.00 0.00 0.00 179.97 180.76 2h3j h LYS 64 N 0.41 0.63 -0.43 0.08 3.64 -1.99 -0.41 116.57 118.50 2h3j h LYS 64 Ca 0.19 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2h3j h LYS 64 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2h3j h LYS 64 CO -0.05 0.63 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.25 2h3j h ASP 65 N 0.52 0.73 -0.61 4.20 3.32 -1.67 -1.92 116.42 120.99 2h3j h ASP 65 Ca 0.13 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.01 2h3j h ASP 65 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2h3j h ASP 65 CO -0.00 0.84 0.40 0.25 -1.72 0.00 0.00 179.24 179.01 2h3j h LEU 66 N 0.69 0.64 -0.07 1.55 5.85 -0.53 -1.47 115.31 121.97 2h3j h LEU 66 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2h3j h LEU 66 Cb 0.53 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2h3j h LEU 66 CO 0.03 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 2h3j n ALA 67 N -2.45 1.66 0.63 1.25 0.00 -0.19 -1.52 120.51 119.89 2h3j n ALA 67 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 2h3j n ALA 67 Cb 0.10 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.58 0.63 -4.52 0.00 4.77 -0.56 -4.66 117.00 111.08 2h3j n LEU 68 Ca 0.03 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 2h3j n LEU 68 Cb 0.17 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 2h3j n LEU 68 CO 0.14 0.08 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.05 2h3j s LEU 69 N -3.75 2.83 -0.25 2.23 1.43 -0.57 -0.30 118.68 120.29 2h3j s LEU 69 Ca 0.04 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2h3j s LEU 69 Cb 0.15 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2h3j s LEU 69 CO 0.81 0.18 0.04 -0.89 0.23 0.00 0.00 176.35 176.71 2h3j s THR 70 N -1.18 3.93 -0.03 5.49 2.01 0.07 -4.41 115.64 121.51 2h3j s THR 70 Ca 0.19 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2h3j s THR 70 Cb -0.11 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2h3j s THR 70 CO 0.12 0.31 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.34 2h3j s LEU 71 N 1.55 2.06 -0.04 4.42 1.43 -1.26 -1.36 118.68 125.48 2h3j s LEU 71 Ca 0.05 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2h3j s LEU 71 Cb -0.15 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2h3j s LEU 71 CO 0.01 0.29 -0.11 0.68 0.23 0.00 0.00 176.35 177.46 2h3j s VAL 72 N -0.46 0.93 1.02 -1.59 -7.23 -0.01 -4.89 120.40 108.17 2h3j s VAL 72 Ca 0.05 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2h3j s VAL 72 Cb -0.11 -0.83 0.20 0.00 0.56 0.00 0.00 36.38 36.19 2h3j s VAL 72 CO 0.01 0.29 1.09 -2.84 -0.31 0.00 0.00 175.10 173.33 2h3j s PRO 73 N 0.29 0.23 0.26 4.82 0.02 -1.26 0.28 135.00 139.64 2h3j s PRO 73 Ca -0.06 1.15 -0.01 0.00 0.02 0.00 0.00 61.00 62.10 2h3j s PRO 73 Cb -0.11 -1.66 0.51 0.00 0.02 0.00 0.00 34.50 33.26 2h3j s PRO 73 CO 0.01 -3.04 1.78 -0.07 -0.33 0.00 0.00 177.00 175.35 2h3j h LEU 74 N -2.15 0.63 -0.02 -5.54 3.38 -1.83 -3.42 115.31 106.37 2h3j h LEU 74 Ca -0.52 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2h3j h LEU 74 Cb 1.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2h3j h LEU 74 CO 0.47 0.30 0.00 -0.67 0.09 0.00 0.00 178.44 178.63