#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 6.45 0.30 6.12 0.01 -1.26 -4.81 113.70 120.52 2h3j s SER 2 Ca 0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2h3j s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2h3j s SER 2 CO 0.00 -1.41 0.00 0.00 0.41 0.00 0.00 173.24 172.24 2h3j n ALA 3 N 8.44 -1.35 -2.71 1.44 0.00 -1.26 -5.05 120.51 120.02 2h3j n ALA 3 Ca 0.12 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 2h3j n ALA 3 Cb 0.49 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3j s LEU 4 N -4.46 2.31 0.27 0.00 1.43 -1.26 -5.16 118.68 111.82 2h3j s LEU 4 Ca 0.00 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 2h3j s LEU 4 Cb 0.00 -0.12 -0.08 0.00 0.03 0.00 0.00 46.19 46.02 2h3j s LEU 4 CO 0.00 -0.27 0.65 0.00 0.23 0.00 0.00 176.35 176.95 2h3j s GLN 5 N -2.09 3.91 -0.39 1.70 0.00 -1.26 -4.94 119.66 116.59 2h3j s GLN 5 Ca -0.06 0.49 -0.27 0.00 -0.00 0.00 0.00 55.36 55.52 2h3j s GLN 5 Cb -0.06 -2.55 -0.06 0.00 0.00 0.00 0.00 33.01 30.34 2h3j s GLN 5 CO -0.01 0.24 2.26 -1.25 0.00 0.00 0.00 175.29 176.54 2h3j s PRO 6 N -2.87 2.59 0.00 9.60 0.04 -1.25 -4.82 135.00 138.30 2h3j s PRO 6 Ca 0.50 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2h3j s PRO 6 Cb -0.11 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2h3j s PRO 6 CO 0.19 -2.72 0.00 0.45 0.04 0.00 0.00 177.00 174.96 2h3j n SER 7 N 13.80 0.00 -4.96 6.66 2.88 -1.18 -4.89 113.62 125.93 2h3j n SER 7 Ca 0.32 0.05 -0.23 0.00 -1.33 0.00 0.00 58.87 57.69 2h3j n SER 7 Cb 0.50 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2h3j n SER 7 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2h3j s ARG 8 N -0.33 3.03 -0.01 -1.46 6.06 -1.26 -4.89 118.95 120.09 2h3j s ARG 8 Ca 0.00 -0.54 0.03 0.00 -2.50 0.00 0.00 55.73 52.72 2h3j s ARG 8 Cb 0.00 -2.57 -0.01 0.00 0.06 0.00 0.00 34.95 32.43 2h3j s ARG 8 CO 0.00 -0.28 -0.10 -1.12 -2.50 0.00 0.00 175.30 171.30 2h3j s SER 9 N -4.23 1.15 -0.07 -2.12 0.01 -1.26 -1.20 113.70 105.98 2h3j s SER 9 Ca 0.49 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.62 2h3j s SER 9 Cb -0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2h3j s SER 9 CO 0.37 0.11 -0.24 -0.31 0.41 0.00 0.00 173.24 173.58 2h3j s TYR 10 N -0.14 2.43 0.23 2.43 2.02 0.11 -1.80 117.35 122.63 2h3j s TYR 10 Ca 0.02 -0.82 -0.13 0.00 -0.37 0.00 0.00 57.07 55.78 2h3j s TYR 10 Cb -0.05 -1.61 -0.08 0.00 -0.40 0.00 0.00 41.96 39.83 2h3j s TYR 10 CO -0.00 -0.28 0.60 1.03 -1.57 0.00 0.00 175.55 175.33 2h3j s ARG 11 N 0.03 3.92 -0.35 -0.62 1.81 0.12 -0.03 118.95 123.82 2h3j s ARG 11 Ca -0.09 0.45 -0.12 0.00 -1.72 0.00 0.00 55.73 54.25 2h3j s ARG 11 Cb -0.15 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 2h3j s ARG 11 CO 0.05 0.32 0.22 0.42 -0.68 0.00 0.00 175.30 175.63 2h3j s ILE 12 N -1.76 4.89 -0.24 1.52 1.01 -1.24 0.01 121.20 125.40 2h3j s ILE 12 Ca 0.47 -0.53 0.18 0.00 0.00 0.00 0.00 60.65 60.76 2h3j s ILE 12 Cb -0.12 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.87 2h3j s ILE 12 CO 0.20 -0.10 1.43 0.71 0.00 0.00 0.00 174.94 177.17 2h3j h THR 13 N 5.67 0.54 0.00 2.92 1.35 -1.65 0.55 112.91 122.29 2h3j h THR 13 Ca -0.29 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2h3j h THR 13 Cb 1.13 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2h3j h THR 13 CO 0.66 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 2h3j n GLY 14 N 1.20 -0.53 3.48 5.82 0.00 -1.23 -4.80 105.19 109.13 2h3j n GLY 14 Ca 0.02 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 0.28 1.61 1.51 -1.26 -1.25 117.35 116.66 2h3j s TYR 15 Ca 0.00 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 2h3j s TYR 15 Cb 0.00 -1.19 -0.10 0.00 -0.11 0.00 0.00 41.96 40.57 2h3j s TYR 15 CO 0.00 0.51 1.12 0.45 -1.11 0.00 0.00 175.55 176.52 2h3j s SER 16 N -2.77 7.22 0.00 2.29 0.15 0.86 -4.64 113.70 116.82 2h3j s SER 16 Ca 0.23 2.31 0.01 0.00 0.70 0.00 0.00 55.95 59.19 2h3j s SER 16 Cb -0.08 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2h3j s SER 16 CO 0.12 -0.18 0.96 -2.65 1.20 0.00 0.00 173.24 172.69 2h3j n PRO 17 N 1.16 0.00 0.00 5.44 -0.02 -1.26 -1.32 135.00 139.00 2h3j n PRO 17 Ca -0.01 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2h3j n PRO 17 Cb 0.44 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 33.10 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 -1.44 2.58 -1.80 3.55 0.00 -1.26 -4.83 120.51 117.32 2h3j n ALA 18 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 2h3j n ALA 18 Cb 0.01 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.64 4.03 0.27 0.00 2.07 -0.43 -5.04 121.20 119.46 2h3j s ILE 19 Ca 0.25 2.01 -0.14 0.00 -1.41 0.00 0.00 60.65 61.37 2h3j s ILE 19 Cb 0.20 -4.28 0.00 0.00 0.13 0.00 0.00 42.46 38.51 2h3j s ILE 19 CO 0.49 0.46 0.54 -0.94 -1.91 0.00 0.00 174.94 173.58 2h3j s SER 20 N -1.02 -0.05 -0.90 4.50 1.04 -1.26 -4.98 113.70 111.03 2h3j s SER 20 Ca 0.42 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 2h3j s SER 20 Cb -0.27 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2h3j s SER 20 CO 0.33 -1.21 0.59 -3.20 0.98 0.00 0.00 173.24 170.73 2h3j n ASN 21 N -0.51 -4.60 -0.94 7.02 4.05 -1.26 -2.88 115.26 116.14 2h3j n ASN 21 Ca -0.02 -0.27 -0.12 0.00 0.45 0.00 0.00 54.58 54.62 2h3j n ASN 21 Cb 0.61 -3.30 -0.05 0.00 1.23 0.00 0.00 39.78 38.28 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2h3j n GLY 22 N -1.36 1.13 0.27 8.20 0.00 -1.26 -4.87 105.19 107.31 2h3j n GLY 22 Ca -0.03 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.66 1.61 3.20 -1.91 -1.52 116.97 117.69 2h3j h TYR 23 Ca -0.24 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.57 2h3j h TYR 23 Cb 0.80 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2h3j h TYR 23 CO 0.32 0.10 0.17 0.00 -1.64 0.00 0.00 178.16 177.11 2h3j h ARG 24 N 0.00 1.05 -0.24 1.82 3.08 -1.89 0.55 114.38 118.75 2h3j h ARG 24 Ca -0.00 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 2h3j h ARG 24 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2h3j h ARG 24 CO 0.01 0.94 -0.38 1.96 -1.07 0.00 0.00 179.97 181.43 2h3j h GLN 25 N 0.98 0.54 -0.49 0.04 4.20 -1.68 0.17 115.11 118.86 2h3j h GLN 25 Ca 0.21 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2h3j h GLN 25 Cb 0.36 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2h3j h GLN 25 CO 0.00 0.83 0.01 -0.09 -0.67 0.00 0.00 178.83 178.92 2h3j h ARG 26 N 0.45 0.85 -0.16 1.46 9.65 -1.17 -2.10 114.38 123.37 2h3j h ARG 26 Ca 0.04 -0.27 -0.15 0.00 -1.10 0.00 0.00 59.98 58.51 2h3j h ARG 26 Cb 0.86 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2h3j h ARG 26 CO 0.07 0.89 -0.53 -0.07 2.80 0.00 0.00 179.97 183.13 2h3j h LEU 27 N 0.72 0.49 -0.61 3.80 3.38 -0.64 -2.66 115.31 119.79 2h3j h LEU 27 Ca 0.14 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2h3j h LEU 27 Cb 0.50 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2h3j h LEU 27 CO 0.02 0.93 0.37 0.15 0.09 0.00 0.00 178.44 180.00 2h3j h PHE 28 N 0.35 0.68 -0.49 1.13 3.57 -0.50 0.27 116.94 121.95 2h3j h PHE 28 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2h3j h PHE 28 Cb 1.05 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2h3j h PHE 28 CO 0.04 0.38 0.24 0.77 -2.23 0.00 0.00 178.31 177.51 2h3j h SER 29 N 0.72 0.61 0.28 0.41 0.02 -1.17 -2.59 113.55 111.83 2h3j h SER 29 Ca 0.25 -0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 60.92 2h3j h SER 29 Cb 0.04 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2h3j h SER 29 CO -0.11 0.52 -0.95 0.24 -1.14 0.00 0.00 176.83 175.39 2h3j h MET 30 N 0.68 0.45 0.00 3.45 2.86 -0.97 -3.47 114.93 117.93 2h3j h MET 30 Ca 0.17 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2h3j h MET 30 Cb 0.06 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2h3j h MET 30 CO -0.02 1.13 0.00 0.41 1.06 0.00 0.00 176.91 179.49 2h3j n GLY 31 N 0.95 1.74 3.25 8.32 0.00 0.38 -5.09 105.19 114.74 2h3j n GLY 31 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 6.15 0.08 0.99 1.43 0.68 -4.97 118.68 123.04 2h3j s LEU 32 Ca 0.00 -2.59 0.00 0.00 -1.03 0.00 0.00 54.13 50.51 2h3j s LEU 32 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2h3j s LEU 32 CO 0.00 -0.55 -0.04 -1.48 0.23 0.00 0.00 176.35 174.52 2h3j s LEU 33 N 0.33 2.44 0.18 1.79 2.34 -1.26 -3.90 118.68 120.60 2h3j s LEU 33 Ca 0.15 -1.02 -0.33 0.00 0.06 0.00 0.00 54.13 52.99 2h3j s LEU 33 Cb -0.16 0.07 -0.13 0.00 -0.56 0.00 0.00 46.19 45.41 2h3j s LEU 33 CO -0.05 -0.54 1.65 -0.81 -1.06 0.00 0.00 176.35 175.53 2h3j n PRO 34 N 0.01 2.44 0.00 1.48 -0.04 -1.26 -2.23 135.00 135.40 2h3j n PRO 34 Ca -0.12 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2h3j n PRO 34 Cb 0.61 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3j n GLY 35 N 3.67 2.27 3.46 0.55 0.00 0.18 -4.98 105.19 110.35 2h3j n GLY 35 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.34 3.10 0.15 4.61 0.00 -0.95 -4.83 121.76 121.50 2h3j s ALA 36 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 2h3j s ALA 36 Cb 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 2h3j s ALA 36 CO 0.00 -2.76 1.10 0.00 0.00 0.00 0.00 175.76 174.10 2h3j s ALA 37 N 4.11 3.36 -0.10 0.00 0.00 -1.26 -3.70 121.76 124.16 2h3j s ALA 37 Ca 0.23 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 2h3j s ALA 37 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2h3j s ALA 37 CO 0.11 -0.23 -0.06 -0.51 0.00 0.00 0.00 175.76 175.07 2h3j s LEU 38 N -0.06 3.17 0.11 0.00 1.43 0.95 -4.60 118.68 119.69 2h3j s LEU 38 Ca 0.51 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2h3j s LEU 38 Cb -0.29 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 2h3j s LEU 38 CO 0.33 0.28 0.40 -0.13 0.23 0.00 0.00 176.35 177.47 2h3j s ARG 39 N -0.34 3.70 -0.16 1.70 3.00 0.32 0.04 118.95 127.21 2h3j s ARG 39 Ca 0.05 0.07 -0.25 0.00 0.00 0.00 0.00 55.73 55.60 2h3j s ARG 39 Cb -0.12 -2.91 -0.02 0.00 0.00 0.00 0.00 34.95 31.90 2h3j s ARG 39 CO 0.02 0.51 0.80 0.54 0.00 0.00 0.00 175.30 177.17 2h3j s VAL 40 N -1.53 4.91 -0.24 3.52 0.11 -0.34 -0.49 120.40 126.33 2h3j s VAL 40 Ca 0.37 1.56 -0.12 0.00 -2.93 0.00 0.00 61.98 60.86 2h3j s VAL 40 Cb -0.13 -4.11 -0.10 0.00 -1.53 0.00 0.00 36.38 30.51 2h3j s VAL 40 CO 0.21 0.05 -0.31 0.52 -3.33 0.00 0.00 175.10 172.24 2h3j n VAL 41 N 4.66 1.33 -3.62 2.04 0.31 0.87 -3.13 118.33 120.79 2h3j n VAL 41 Ca 0.03 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.00 2h3j n VAL 41 Cb 0.49 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.45 0.18 0.00 5.55 3.52 -0.55 -4.54 118.95 120.67 2h3j s ARG 42 Ca -0.34 -0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2h3j s ARG 42 Cb 0.13 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 2h3j s ARG 42 CO 0.42 -0.07 -0.14 0.42 -0.81 0.00 0.00 175.30 175.13 2h3j s ILE 43 N -2.01 1.07 0.65 4.11 -1.09 -1.26 -1.11 121.20 121.55 2h3j s ILE 43 Ca 0.10 -0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 57.66 2h3j s ILE 43 Cb -0.01 -0.91 -0.00 0.00 -1.58 0.00 0.00 42.46 39.95 2h3j s ILE 43 CO -0.04 0.21 1.18 0.00 -1.23 0.00 0.00 174.94 175.06 2h3j s ALA 44 N -0.47 2.39 0.30 9.38 0.00 -1.24 -4.95 121.76 127.17 2h3j s ALA 44 Ca 0.04 0.85 0.07 0.00 0.00 0.00 0.00 51.96 52.92 2h3j s ALA 44 Cb -0.06 -3.42 0.47 0.00 0.00 0.00 0.00 23.12 20.11 2h3j s ALA 44 CO 0.00 -1.40 1.70 -1.00 0.00 0.00 0.00 175.76 175.06 2h3j h PRO 45 N 0.31 0.20 0.00 0.00 0.13 -2.01 -3.38 132.00 127.26 2h3j h PRO 45 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2h3j h PRO 45 Cb 1.28 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2h3j h PRO 45 CO 0.53 0.60 0.00 1.28 -0.23 0.00 0.00 178.00 180.18 2h3j n LEU 46 N -4.02 0.12 0.00 1.56 7.99 -1.26 -4.96 117.00 116.43 2h3j n LEU 46 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2h3j n LEU 46 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2h3j n LEU 46 CO 0.42 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2h3j n GLY 47 N 0.76 0.08 0.00 -0.72 0.00 -1.26 -5.15 105.19 98.89 2h3j n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2h3j n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h3j n ASP 48 N -1.22 0.00 -4.91 1.61 5.75 -1.26 -4.16 116.55 112.35 2h3j n ASP 48 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2h3j n ASP 48 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2h3j n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2h3j s PRO 49 N -0.33 3.55 -0.47 0.11 0.05 -1.26 -4.58 135.00 132.07 2h3j s PRO 49 Ca 0.00 -0.25 -0.10 0.00 0.05 0.00 0.00 61.00 60.71 2h3j s PRO 49 Cb 0.00 -2.87 0.11 0.00 0.05 0.00 0.00 34.50 31.80 2h3j s PRO 49 CO 0.00 0.45 0.35 0.42 0.05 0.00 0.00 177.00 178.27 2h3j s ILE 50 N -1.74 4.30 -0.31 0.56 1.01 0.41 -3.73 121.20 121.70 2h3j s ILE 50 Ca 0.39 -1.71 -0.27 0.00 0.00 0.00 0.00 60.65 59.06 2h3j s ILE 50 Cb -0.12 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.57 2h3j s ILE 50 CO 0.27 -0.75 0.97 -1.10 0.00 0.00 0.00 174.94 174.33 2h3j s GLN 51 N 1.39 4.05 0.26 2.79 -0.21 -0.27 -2.54 119.66 125.13 2h3j s GLN 51 Ca 0.05 0.92 0.02 0.00 0.02 0.00 0.00 55.36 56.37 2h3j s GLN 51 Cb -0.26 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 29.98 2h3j s GLN 51 CO -0.00 -0.80 0.15 0.14 -2.12 0.00 0.00 175.29 172.66 2h3j s VAL 52 N 3.36 0.23 -0.14 1.09 -7.23 0.89 -0.09 120.40 118.50 2h3j s VAL 52 Ca 0.41 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2h3j s VAL 52 Cb -0.13 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.29 2h3j s VAL 52 CO 0.13 0.00 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.05 2h3j s GLU 53 N -3.94 2.52 0.03 4.82 2.12 0.35 0.59 118.70 125.20 2h3j s GLU 53 Ca 0.38 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 55.13 2h3j s GLU 53 Cb 0.06 -2.16 -0.23 0.00 0.26 0.00 0.00 34.13 32.06 2h3j s GLU 53 CO 0.16 -0.12 0.95 1.79 -0.54 0.00 0.00 175.26 177.49 2h3j h THR 54 N 5.95 1.25 0.00 -1.70 1.35 -1.77 0.93 112.91 118.93 2h3j h THR 54 Ca -0.35 -3.02 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 2h3j h THR 54 Cb 1.16 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 2h3j h THR 54 CO 0.53 0.74 0.00 -1.14 -0.25 0.00 0.00 175.52 175.40 2h3j n ARG 55 N -3.23 0.00 0.00 4.72 0.63 -1.26 -4.65 116.66 112.87 2h3j n ARG 55 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2h3j n ARG 55 Cb 1.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.91 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2h3j n GLN 56 N -1.61 2.04 -4.37 -0.14 6.02 -1.26 -5.11 117.38 112.95 2h3j n GLN 56 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 2h3j n GLN 56 Cb 0.00 -0.64 -0.10 0.00 1.02 0.00 0.00 30.24 30.52 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2h3j s THR 57 N -1.07 1.80 0.19 5.09 -1.32 -1.26 -5.13 115.64 113.92 2h3j s THR 57 Ca 0.00 -2.22 -0.21 0.00 -1.21 0.00 0.00 61.69 58.05 2h3j s THR 57 Cb 0.00 -2.12 -0.08 0.00 -1.51 0.00 0.00 72.50 68.79 2h3j s THR 57 CO 0.00 -0.54 0.71 -0.44 -2.21 0.00 0.00 174.62 172.14 2h3j s SER 58 N -3.35 7.12 0.02 8.08 0.01 -1.26 -2.73 113.70 121.58 2h3j s SER 58 Ca 0.24 1.43 0.01 0.00 1.31 0.00 0.00 55.95 58.94 2h3j s SER 58 Cb -0.01 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 2h3j s SER 58 CO 0.08 0.11 -0.04 -0.22 0.41 0.00 0.00 173.24 173.58 2h3j s LEU 59 N -1.67 2.13 0.03 2.44 0.20 0.20 -4.96 118.68 117.05 2h3j s LEU 59 Ca 0.39 -0.30 0.08 0.00 0.69 0.00 0.00 54.13 55.00 2h3j s LEU 59 Cb -0.18 -0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 2h3j s LEU 59 CO 0.22 -0.12 -0.24 0.00 -0.29 0.00 0.00 176.35 175.92 2h3j s ALA 60 N -0.77 2.05 0.33 5.97 0.00 -1.25 -0.08 121.76 128.00 2h3j s ALA 60 Ca -0.06 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 2h3j s ALA 60 Cb -0.06 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2h3j s ALA 60 CO -0.00 0.48 0.53 -0.48 0.00 0.00 0.00 175.76 176.29 2h3j s LEU 61 N -1.07 0.68 0.24 0.00 0.05 -1.05 -4.88 118.68 112.66 2h3j s LEU 61 Ca 0.10 -1.30 -0.00 0.00 0.05 0.00 0.00 54.13 52.98 2h3j s LEU 61 Cb -0.09 1.76 -0.04 0.00 -2.05 0.00 0.00 46.19 45.77 2h3j s LEU 61 CO 0.01 -1.33 0.43 -0.13 -0.55 0.00 0.00 176.35 174.78 2h3j s ARG 62 N -3.15 3.51 0.34 1.48 3.00 -1.26 -0.45 118.95 122.42 2h3j s ARG 62 Ca 0.26 -0.36 0.06 0.00 0.00 0.00 0.00 55.73 55.69 2h3j s ARG 62 Cb -0.01 -2.80 0.61 0.00 0.00 0.00 0.00 34.95 32.75 2h3j s ARG 62 CO 0.16 0.35 1.84 0.07 0.00 0.00 0.00 175.30 177.72 2h3j h ARG 63 N 1.66 0.41 -0.70 3.54 0.11 -1.97 -1.91 114.38 115.52 2h3j h ARG 63 Ca -0.49 -0.11 0.08 0.00 0.10 0.00 0.00 59.98 59.57 2h3j h ARG 63 Cb 1.20 -0.05 -0.07 0.00 1.11 0.00 0.00 29.97 32.17 2h3j h ARG 63 CO 0.66 0.53 0.36 -0.22 0.10 0.00 0.00 179.97 181.41 2h3j h LYS 64 N 0.38 0.62 -0.45 0.08 3.64 -1.96 0.16 116.57 119.04 2h3j h LYS 64 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 2h3j h LYS 64 Cb 0.45 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2h3j h LYS 64 CO 0.03 0.41 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.92 2h3j h ASP 65 N 0.64 0.98 0.30 4.20 5.19 -1.83 -2.94 116.42 122.96 2h3j h ASP 65 Ca 0.33 -0.38 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2h3j h ASP 65 Cb 0.30 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2h3j h ASP 65 CO -0.24 1.17 -0.25 0.25 -3.12 0.00 0.00 179.24 177.06 2h3j h LEU 66 N 0.81 0.00 -1.01 1.55 5.85 -0.53 -1.16 115.31 120.82 2h3j h LEU 66 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2h3j h LEU 66 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2h3j h LEU 66 CO 0.07 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 2h3j h ALA 67 N 1.75 1.00 -0.02 1.25 0.00 -0.54 -1.35 119.26 121.36 2h3j h ALA 67 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h3j h ALA 67 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2h3j h ALA 67 CO 0.03 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 180.25 2h3j n LEU 68 N -2.44 1.91 -4.47 0.00 4.77 -0.45 -4.69 117.00 111.63 2h3j n LEU 68 Ca 0.01 -0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 2h3j n LEU 68 Cb 0.22 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 2h3j n LEU 68 CO 0.20 0.34 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.47 2h3j s LEU 69 N -2.37 3.12 -0.32 2.23 1.43 -0.51 -0.10 118.68 122.15 2h3j s LEU 69 Ca 0.23 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 2h3j s LEU 69 Cb 0.19 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2h3j s LEU 69 CO 0.50 0.17 0.56 -0.89 0.23 0.00 0.00 176.35 176.92 2h3j s THR 70 N 0.35 4.98 0.00 5.49 2.01 -0.38 -4.73 115.64 123.36 2h3j s THR 70 Ca -0.06 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.57 2h3j s THR 70 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2h3j s THR 70 CO 0.04 -0.16 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.03 2h3j s LEU 71 N 2.49 3.43 -0.10 4.42 1.43 -1.26 -1.59 118.68 127.51 2h3j s LEU 71 Ca 0.22 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2h3j s LEU 71 Cb -0.15 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2h3j s LEU 71 CO 0.12 0.28 -0.04 0.68 0.23 0.00 0.00 176.35 177.63 2h3j s VAL 72 N -1.07 0.73 0.95 -1.59 -7.23 0.10 -4.92 120.40 107.37 2h3j s VAL 72 Ca 0.19 -0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.11 2h3j s VAL 72 Cb -0.11 -0.84 0.16 0.00 0.56 0.00 0.00 36.38 36.15 2h3j s VAL 72 CO 0.10 0.28 1.10 -2.84 -0.31 0.00 0.00 175.10 173.43 2h3j s PRO 73 N 1.83 0.75 0.40 4.82 0.02 -1.26 0.15 135.00 141.70 2h3j s PRO 73 Ca 0.04 1.20 0.13 0.00 0.02 0.00 0.00 61.00 62.39 2h3j s PRO 73 Cb -0.13 -1.72 0.82 0.00 0.02 0.00 0.00 34.50 33.49 2h3j s PRO 73 CO -0.07 -2.70 1.89 -0.07 -0.33 0.00 0.00 177.00 175.72 2h3j h LEU 74 N -1.90 0.04 0.00 -5.54 3.38 -1.73 -3.43 115.31 106.12 2h3j h LEU 74 Ca -0.49 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2h3j h LEU 74 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2h3j h LEU 74 CO 0.47 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.79