#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmh s SER 2 N 0.00 -0.45 0.46 1.61 0.01 -1.26 -5.15 113.70 108.93 2dmh s SER 2 Ca 0.00 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.93 2dmh s SER 2 Cb 0.00 0.54 -0.08 0.00 0.21 0.00 0.00 66.02 66.69 2dmh s SER 2 CO 0.00 -0.90 1.27 -1.20 0.41 0.00 0.00 173.24 172.82 2dmh n SER 3 N -0.35 2.46 -1.45 2.44 7.64 -1.26 -5.02 113.62 118.08 2dmh n SER 3 Ca -0.12 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2dmh n SER 3 Cb 0.63 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2dmh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmh n GLY 4 N 0.83 3.66 0.22 0.23 0.00 -1.26 -5.06 105.19 103.81 2dmh n GLY 4 Ca 0.08 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 2dmh n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dmh h SER 5 N 0.00 -0.40 -5.82 1.61 0.02 -1.96 -3.46 113.55 103.55 2dmh h SER 5 Ca 0.00 -0.16 -0.33 0.00 -0.84 0.00 0.00 61.79 60.46 2dmh h SER 5 Cb 0.00 0.10 -0.21 0.00 0.14 0.00 0.00 62.40 62.44 2dmh h SER 5 CO 0.00 -0.00 -0.48 -1.20 -1.14 0.00 0.00 176.83 174.01 2dmh n SER 6 N -5.14 -1.31 -1.75 3.07 7.64 -1.26 -4.02 113.62 110.85 2dmh n SER 6 Ca -0.09 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2dmh n SER 6 Cb 0.28 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2dmh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmh n GLY 7 N -0.77 -4.92 3.32 0.23 0.00 -1.26 -0.40 105.19 101.39 2dmh n GLY 7 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 2dmh n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmh s MET 8 N -2.54 0.40 -0.32 1.61 -2.45 -1.19 -2.51 119.30 112.29 2dmh s MET 8 Ca 0.00 0.98 -0.16 0.00 -1.25 0.00 0.00 55.69 55.26 2dmh s MET 8 Cb 0.00 0.21 -0.02 0.00 1.25 0.00 0.00 34.83 36.27 2dmh s MET 8 CO 0.00 -0.20 0.40 -1.17 1.05 0.00 0.00 175.02 175.09 2dmh s LEU 9 N 2.07 4.29 -0.19 4.11 2.96 -1.01 -3.73 118.68 127.18 2dmh s LEU 9 Ca -0.06 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 2dmh s LEU 9 Cb -0.10 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2dmh s LEU 9 CO -0.14 -0.32 0.12 -0.13 -1.32 0.00 0.00 176.35 174.56 2dmh s ARG 10 N 2.11 4.05 -0.29 1.98 0.52 -1.01 -0.76 118.95 125.55 2dmh s ARG 10 Ca 0.14 -0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 2dmh s ARG 10 Cb -0.16 -3.35 0.08 0.00 0.52 0.00 0.00 34.95 32.04 2dmh s ARG 10 CO 0.11 0.36 0.02 0.08 0.02 0.00 0.00 175.30 175.89 2dmh s VAL 11 N 0.19 1.53 -0.00 3.52 1.01 -0.62 -1.06 120.40 124.95 2dmh s VAL 11 Ca 0.08 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 2dmh s VAL 11 Cb -0.11 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2dmh s VAL 11 CO -0.01 -0.42 0.61 -0.63 0.00 0.00 0.00 175.10 174.65 2dmh s ILE 12 N 1.33 4.90 -0.43 2.22 1.01 -0.41 -0.59 121.20 129.22 2dmh s ILE 12 Ca 0.04 1.28 -0.05 0.00 0.00 0.00 0.00 60.65 61.92 2dmh s ILE 12 Cb -0.18 -3.95 0.11 0.00 0.01 0.00 0.00 42.46 38.45 2dmh s ILE 12 CO -0.13 0.41 0.26 -0.69 0.00 0.00 0.00 174.94 174.79 2dmh s VAL 13 N -0.13 3.60 0.00 2.92 1.01 0.07 -1.52 120.40 126.35 2dmh s VAL 13 Ca 0.32 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.31 2dmh s VAL 13 Cb -0.18 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2dmh s VAL 13 CO 0.18 -0.72 0.39 -0.62 0.00 0.00 0.00 175.10 174.32 2dmh n GLU 14 N 4.68 0.00 -3.65 2.72 -0.58 -1.06 0.23 120.64 122.98 2dmh n GLU 14 Ca -0.04 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 56.93 2dmh n GLU 14 Cb 0.41 -0.99 -0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2dmh n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dmh s SER 15 N -1.94 -0.07 0.33 1.62 1.04 -1.23 -0.16 113.70 113.29 2dmh s SER 15 Ca 0.00 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2dmh s SER 15 Cb 0.00 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.26 2dmh s SER 15 CO 0.00 -0.38 0.02 0.00 0.98 0.00 0.00 173.24 173.86 2dmh s ALA 16 N -2.51 2.52 0.23 5.32 0.00 -1.11 -0.39 121.76 125.82 2dmh s ALA 16 Ca 0.14 -2.07 -0.21 0.00 0.00 0.00 0.00 51.96 49.82 2dmh s ALA 16 Cb 0.04 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.65 2dmh s ALA 16 CO -0.03 -0.22 0.65 -1.12 0.00 0.00 0.00 175.76 175.04 2dmh s SER 17 N -3.52 -0.34 -1.06 0.00 0.01 0.38 -3.61 113.70 105.57 2dmh s SER 17 Ca 0.35 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2dmh s SER 17 Cb 0.08 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2dmh s SER 17 CO 0.15 -1.19 0.89 0.59 0.41 0.00 0.00 173.24 174.09 2dmh n ASN 18 N -0.42 -2.85 -4.81 2.44 3.02 -1.26 -1.30 115.26 110.08 2dmh n ASN 18 Ca -0.08 -0.52 -0.38 0.00 -0.03 0.00 0.00 54.58 53.57 2dmh n ASN 18 Cb 0.61 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.28 2dmh n ASN 18 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmh s ILE 19 N -3.30 5.01 -0.33 2.41 1.01 -1.26 -3.21 121.20 121.54 2dmh s ILE 19 Ca 0.11 0.92 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 2dmh s ILE 19 Cb -0.05 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2dmh s ILE 19 CO 0.62 0.53 1.68 -2.16 0.00 0.00 0.00 174.94 175.62 2dmh s PRO 20 N -0.74 3.46 1.24 2.79 0.04 -1.26 -4.92 135.00 135.61 2dmh s PRO 20 Ca 0.25 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 2dmh s PRO 20 Cb -0.17 -4.13 0.32 0.00 0.04 0.00 0.00 34.50 30.56 2dmh s PRO 20 CO 0.14 -1.70 0.79 0.36 0.04 0.00 0.00 177.00 176.62 2dmh n LYS 21 N 8.23 -4.24 -4.31 4.56 2.85 -1.26 -4.87 118.16 119.12 2dmh n LYS 21 Ca 0.21 -1.31 -0.20 0.00 -1.05 0.00 0.00 58.31 55.96 2dmh n LYS 21 Cb 0.47 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 33.16 2dmh n LYS 21 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2dmh s THR 22 N -2.09 0.11 -0.10 0.58 -4.23 -0.42 -4.98 115.64 104.51 2dmh s THR 22 Ca 0.59 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.37 2dmh s THR 22 Cb -0.09 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.56 2dmh s THR 22 CO 0.48 0.00 1.83 0.07 -0.54 0.00 0.00 174.62 176.47 2dmh h LYS 23 N 2.14 0.00 -0.87 3.99 2.10 -2.02 -2.17 116.57 119.74 2dmh h LYS 23 Ca -0.28 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.78 2dmh h LYS 23 Cb 1.24 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.26 2dmh h LYS 23 CO 0.42 0.00 0.33 0.34 -2.00 0.00 0.00 179.45 178.55 2dmh n PHE 24 N -2.49 2.89 0.00 0.07 7.35 -1.26 -5.04 117.46 118.98 2dmh n PHE 24 Ca -0.00 -2.58 0.00 0.00 -0.76 0.00 0.00 57.45 54.11 2dmh n PHE 24 Cb 0.13 -1.03 0.00 0.00 0.35 0.00 0.00 39.48 38.93 2dmh n PHE 24 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dmh n GLY 25 N -0.91 2.07 3.46 7.13 0.00 -0.82 -4.67 105.19 111.45 2dmh n GLY 25 Ca 0.55 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2dmh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmh s LYS 26 N 0.00 3.67 0.92 1.61 1.02 -1.26 -1.30 119.74 124.40 2dmh s LYS 26 Ca 0.00 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 2dmh s LYS 26 Cb 0.00 -3.31 0.23 0.00 -0.52 0.00 0.00 37.83 34.23 2dmh s LYS 26 CO 0.00 -0.15 0.82 -0.35 -0.92 0.00 0.00 175.35 174.74 2dmh n PRO 27 N 4.81 -2.62 -3.57 -1.68 -0.04 -1.26 -3.98 135.00 126.67 2dmh n PRO 27 Ca -0.16 -1.30 -0.40 0.00 -0.04 0.00 0.00 63.50 61.59 2dmh n PRO 27 Cb 0.51 -1.22 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 2dmh n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dmh s ASP 28 N -3.70 5.79 0.43 3.54 1.11 -1.26 -2.69 116.67 119.89 2dmh s ASP 28 Ca 0.53 -2.60 -0.24 0.00 0.18 0.00 0.00 52.55 50.42 2dmh s ASP 28 Cb -0.05 -1.99 -0.08 0.00 1.07 0.00 0.00 42.92 41.87 2dmh s ASP 28 CO 0.41 -0.50 1.18 -2.16 1.18 0.00 0.00 175.17 175.27 2dmh s PRO 29 N 0.31 3.88 -0.15 8.23 0.04 -1.25 -2.06 135.00 144.00 2dmh s PRO 29 Ca 0.15 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2dmh s PRO 29 Cb -0.18 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.89 2dmh s PRO 29 CO -0.04 -0.47 0.34 -1.50 0.04 0.00 0.00 177.00 175.37 2dmh s ILE 30 N -1.48 -0.21 0.05 0.56 2.07 -1.00 -2.93 121.20 118.25 2dmh s ILE 30 Ca 0.61 0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 59.72 2dmh s ILE 30 Cb -0.30 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.72 2dmh s ILE 30 CO 0.37 0.07 0.90 -0.69 -1.91 0.00 0.00 174.94 173.68 2dmh s VAL 31 N 1.77 4.71 -0.08 4.00 1.01 -1.26 -3.29 120.40 127.27 2dmh s VAL 31 Ca -0.06 1.92 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2dmh s VAL 31 Cb -0.10 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2dmh s VAL 31 CO -0.11 0.27 -0.10 -0.44 0.00 0.00 0.00 175.10 174.73 2dmh s SER 32 N 0.37 1.80 0.02 3.32 0.01 -0.79 -0.86 113.70 117.57 2dmh s SER 32 Ca 0.46 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.51 2dmh s SER 32 Cb -0.21 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 2dmh s SER 32 CO 0.27 -0.03 -0.19 -0.69 0.41 0.00 0.00 173.24 173.00 2dmh s VAL 33 N 1.06 2.69 -0.06 3.43 1.01 0.82 -1.65 120.40 127.71 2dmh s VAL 33 Ca -0.07 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 2dmh s VAL 33 Cb -0.14 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2dmh s VAL 33 CO -0.01 0.40 -0.01 -0.63 0.00 0.00 0.00 175.10 174.85 2dmh s ILE 34 N -0.86 0.36 -0.25 2.22 1.09 -1.15 0.15 121.20 122.76 2dmh s ILE 34 Ca 0.13 0.07 -0.15 0.00 -1.10 0.00 0.00 60.65 59.61 2dmh s ILE 34 Cb -0.10 -0.48 0.07 0.00 -1.06 0.00 0.00 42.46 40.89 2dmh s ILE 34 CO 0.04 0.23 0.63 0.12 -0.10 0.00 0.00 174.94 175.85 2dmh s PHE 35 N 1.55 -0.95 -1.06 3.97 5.36 0.29 -3.54 117.98 123.58 2dmh s PHE 35 Ca -0.02 1.94 -0.02 0.00 -0.96 0.00 0.00 56.93 57.87 2dmh s PHE 35 Cb -0.13 0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 43.07 2dmh s PHE 35 CO -0.03 -0.48 0.90 1.63 -1.46 0.00 0.00 175.22 175.77 2dmh n LYS 36 N 4.26 -4.81 -2.64 10.12 4.76 -1.26 -2.20 118.16 126.39 2dmh n LYS 36 Ca -0.21 0.79 -0.14 0.00 -2.87 0.00 0.00 58.31 55.88 2dmh n LYS 36 Cb 0.58 -5.58 -0.00 0.00 -1.84 0.00 0.00 35.03 28.19 2dmh n LYS 36 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2dmh n ASP 37 N -3.01 -3.83 -3.83 4.39 -0.08 -1.26 -4.93 116.55 104.00 2dmh n ASP 37 Ca -0.20 0.08 -0.23 0.00 -1.51 0.00 0.00 54.79 52.93 2dmh n ASP 37 Cb 0.64 -3.24 -0.17 0.00 2.34 0.00 0.00 41.12 40.69 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2dmh s GLU 38 N -5.24 0.85 0.02 -0.67 -6.30 -0.93 -5.14 118.70 101.29 2dmh s GLU 38 Ca 0.09 -0.02 0.02 0.00 -2.50 0.00 0.00 54.97 52.56 2dmh s GLU 38 Cb -0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 34.13 32.99 2dmh s GLU 38 CO 0.11 -0.24 0.02 0.21 0.02 0.00 0.00 175.26 175.39 2dmh s LYS 39 N 1.64 2.81 -0.26 4.30 2.20 -1.26 -0.55 119.74 128.61 2dmh s LYS 39 Ca 0.01 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 54.87 2dmh s LYS 39 Cb -0.13 -2.69 0.10 0.00 -1.51 0.00 0.00 37.83 33.60 2dmh s LYS 39 CO -0.04 0.61 0.60 0.15 -0.36 0.00 0.00 175.35 176.30 2dmh s LYS 40 N -1.81 0.56 0.44 4.03 1.02 0.12 -4.98 119.74 119.12 2dmh s LYS 40 Ca 0.22 1.25 0.06 0.00 0.02 0.00 0.00 55.97 57.52 2dmh s LYS 40 Cb -0.12 0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 37.61 2dmh s LYS 40 CO 0.14 -0.19 0.11 -1.59 -0.92 0.00 0.00 175.35 172.90 2dmh s LYS 41 N 2.31 2.13 0.35 1.68 0.00 -1.26 -0.13 119.74 124.83 2dmh s LYS 41 Ca -0.07 -2.03 0.05 0.00 0.00 0.00 0.00 55.97 53.92 2dmh s LYS 41 Cb -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 37.83 35.92 2dmh s LYS 41 CO -0.18 -0.17 0.50 0.95 0.00 0.00 0.00 175.35 176.45 2dmh s THR 42 N -2.69 4.16 -0.12 3.79 -4.23 -0.04 -4.98 115.64 111.53 2dmh s THR 42 Ca 0.33 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.63 2dmh s THR 42 Cb 0.05 -3.46 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 2dmh s THR 42 CO 0.18 -0.21 2.04 2.29 -0.54 0.00 0.00 174.62 178.38 2dmh n LYS 43 N -1.70 2.20 -1.50 3.99 2.85 -1.26 -4.60 118.16 118.14 2dmh n LYS 43 Ca -0.01 0.74 -0.42 0.00 -1.05 0.00 0.00 58.31 57.58 2dmh n LYS 43 Cb 0.58 -2.90 0.01 0.00 -0.65 0.00 0.00 35.03 32.07 2dmh n LYS 43 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2dmh n LYS 44 N 7.68 0.77 -4.68 -1.58 2.85 -1.26 -4.96 118.16 116.97 2dmh n LYS 44 Ca 0.26 0.28 -0.34 0.00 -1.05 0.00 0.00 58.31 57.46 2dmh n LYS 44 Cb 0.36 -1.65 -0.12 0.00 -0.65 0.00 0.00 35.03 32.97 2dmh n LYS 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dmh s VAL 45 N -1.40 3.54 1.21 0.58 1.01 -1.15 -5.06 120.40 119.13 2dmh s VAL 45 Ca 0.64 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 2dmh s VAL 45 Cb -0.60 -2.44 0.31 0.00 0.00 0.00 0.00 36.38 33.66 2dmh s VAL 45 CO 0.57 0.59 1.01 1.51 0.00 0.00 0.00 175.10 178.78 2dmh s ASP 46 N -0.82 0.57 -0.80 3.32 -4.77 -1.26 -3.90 116.67 109.00 2dmh s ASP 46 Ca 0.12 1.49 -0.32 0.00 -3.30 0.00 0.00 52.55 50.54 2dmh s ASP 46 Cb -0.11 -2.30 -0.20 0.00 -1.09 0.00 0.00 42.92 39.22 2dmh s ASP 46 CO 0.01 -4.45 2.37 -0.46 0.70 0.00 0.00 175.17 173.35 2dmh n ASN 47 N -5.08 0.39 -3.62 2.11 0.23 -1.25 -4.72 115.26 103.32 2dmh n ASN 47 Ca 0.02 0.30 -0.04 0.00 -0.53 0.00 0.00 54.58 54.34 2dmh n ASN 47 Cb 0.54 -0.85 -0.06 0.00 -2.08 0.00 0.00 39.78 37.33 2dmh n ASN 47 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2dmh s GLU 48 N 7.60 0.53 0.04 -3.83 2.56 -1.09 -4.86 118.70 119.64 2dmh s GLU 48 Ca 1.23 1.00 -0.23 0.00 0.00 0.00 0.00 54.97 56.97 2dmh s GLU 48 Cb -1.24 0.24 -0.16 0.00 2.00 0.00 0.00 34.13 34.97 2dmh s GLU 48 CO 0.50 -0.13 1.46 -0.07 -0.56 0.00 0.00 175.26 176.46 2dmh h LEU 49 N 6.84 0.12 -7.46 2.70 4.07 -1.88 -3.36 115.31 116.34 2dmh h LEU 49 Ca -0.26 -0.32 -0.73 0.00 0.08 0.00 0.00 57.88 56.65 2dmh h LEU 49 Cb 1.19 -0.03 -0.33 0.00 1.08 0.00 0.00 40.66 42.56 2dmh h LEU 49 CO 0.16 0.41 -0.02 0.20 -1.08 0.00 0.00 178.44 178.11 2dmh s ASN 50 N -5.64 6.19 0.95 -0.43 0.01 -1.26 -4.13 114.94 110.63 2dmh s ASN 50 Ca -0.15 -3.44 -0.12 0.00 -0.71 0.00 0.00 52.86 48.44 2dmh s ASN 50 Cb 0.04 -1.99 0.16 0.00 0.41 0.00 0.00 41.25 39.88 2dmh s ASN 50 CO 0.69 -0.28 1.09 -2.16 -1.51 0.00 0.00 177.10 174.94 2dmh s PRO 51 N -0.95 0.81 -0.09 -0.60 0.04 -1.24 -4.83 135.00 128.13 2dmh s PRO 51 Ca 0.25 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 2dmh s PRO 51 Cb -0.10 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2dmh s PRO 51 CO -0.10 -2.51 0.05 0.08 0.04 0.00 0.00 177.00 174.57 2dmh s VAL 52 N -2.95 0.05 -0.18 -0.36 1.01 -1.26 -2.73 120.40 113.97 2dmh s VAL 52 Ca 0.64 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2dmh s VAL 52 Cb -0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 2dmh s VAL 52 CO 0.57 0.06 -0.20 0.79 0.00 0.00 0.00 175.10 176.31 2dmh n TRP 53 N 5.24 0.00 -3.35 5.22 8.01 -0.67 -4.98 117.44 126.91 2dmh n TRP 53 Ca -0.05 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.95 2dmh n TRP 53 Cb 0.50 -0.67 -0.03 0.00 -2.01 0.00 0.00 31.31 29.10 2dmh n TRP 53 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2dmh n ASN 54 N -3.49 -1.75 -5.01 -0.99 0.23 0.63 -4.89 115.26 99.99 2dmh n ASN 54 Ca -0.34 -0.26 -0.20 0.00 -0.53 0.00 0.00 54.58 53.25 2dmh n ASN 54 Cb 0.79 -1.56 0.04 0.00 -2.08 0.00 0.00 39.78 36.97 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2dmh s GLU 55 N -5.95 2.39 -0.02 -3.83 -1.05 -0.61 -4.88 118.70 104.75 2dmh s GLU 55 Ca 0.36 -1.62 0.04 0.00 -0.15 0.00 0.00 54.97 53.59 2dmh s GLU 55 Cb -0.20 -2.59 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 2dmh s GLU 55 CO 0.44 -0.72 -0.13 0.42 0.95 0.00 0.00 175.26 176.22 2dmh s ILE 56 N -2.62 1.07 0.26 1.83 1.01 -1.26 -0.75 121.20 120.73 2dmh s ILE 56 Ca 0.57 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2dmh s ILE 56 Cb -0.06 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2dmh s ILE 56 CO 0.36 0.31 -0.06 -0.76 0.00 0.00 0.00 174.94 174.79 2dmh s LEU 57 N -0.12 3.04 -0.05 2.97 1.43 0.24 -4.95 118.68 121.24 2dmh s LEU 57 Ca 0.01 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2dmh s LEU 57 Cb -0.07 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2dmh s LEU 57 CO 0.00 0.02 0.13 -1.61 0.23 0.00 0.00 176.35 175.13 2dmh s GLU 58 N -3.52 0.15 0.11 1.70 2.02 -1.26 -1.59 118.70 116.31 2dmh s GLU 58 Ca 0.30 0.20 0.07 0.00 0.02 0.00 0.00 54.97 55.56 2dmh s GLU 58 Cb -0.06 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 2dmh s GLU 58 CO 0.18 -0.03 -0.16 -0.06 0.02 0.00 0.00 175.26 175.21 2dmh s PHE 59 N 0.19 1.49 -0.28 1.61 0.08 0.06 -4.97 117.98 116.17 2dmh s PHE 59 Ca -0.01 -0.49 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 2dmh s PHE 59 Cb -0.02 -0.80 -0.05 0.00 -0.57 0.00 0.00 43.02 41.58 2dmh s PHE 59 CO -0.01 0.16 0.18 -0.51 -0.10 0.00 0.00 175.22 174.95 2dmh s ASP 60 N -2.19 5.99 0.02 1.36 1.11 -1.26 -2.41 116.67 119.29 2dmh s ASP 60 Ca 0.06 -0.01 0.14 0.00 0.18 0.00 0.00 52.55 52.93 2dmh s ASP 60 Cb -0.07 -2.11 -0.18 0.00 1.07 0.00 0.00 42.92 41.63 2dmh s ASP 60 CO 0.04 -0.04 0.78 -0.07 1.18 0.00 0.00 175.17 177.05 2dmh h LEU 61 N 8.30 0.00 0.08 1.23 3.38 -1.62 -3.49 115.31 123.19 2dmh h LEU 61 Ca -0.35 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 2dmh h LEU 61 Cb 1.19 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.97 2dmh h LEU 61 CO 0.56 0.79 -0.26 0.54 0.09 0.00 0.00 178.44 180.16 2dmh n ARG 62 N -2.99 -2.11 0.00 1.13 5.12 -0.94 -2.68 116.66 114.19 2dmh n ARG 62 Ca -0.12 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 2dmh n ARG 62 Cb 0.94 -4.15 0.00 0.00 -1.16 0.00 0.00 32.46 28.09 2dmh n ARG 62 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dmh n GLY 63 N -1.08 2.10 3.61 -0.13 0.00 0.46 -4.99 105.19 105.16 2dmh n GLY 63 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2dmh n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmh s ILE 64 N -2.57 4.16 1.21 -0.61 -1.09 -1.09 -4.77 121.20 116.44 2dmh s ILE 64 Ca 0.00 1.23 -0.20 0.00 -2.23 0.00 0.00 60.65 59.45 2dmh s ILE 64 Cb 0.00 -4.40 0.29 0.00 -1.58 0.00 0.00 42.46 36.77 2dmh s ILE 64 CO 0.00 -0.78 1.11 -2.16 -1.23 0.00 0.00 174.94 171.88 2dmh s PRO 65 N 4.42 -1.31 0.34 2.79 0.04 -1.26 -4.80 135.00 135.22 2dmh s PRO 65 Ca 0.52 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.45 2dmh s PRO 65 Cb -0.11 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2dmh s PRO 65 CO 0.28 -3.76 0.57 -0.51 0.04 0.00 0.00 177.00 173.62 2dmh s LEU 66 N -6.96 3.99 0.25 -3.56 1.43 -1.26 -5.10 118.68 107.46 2dmh s LEU 66 Ca 0.71 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2dmh s LEU 66 Cb -0.09 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 2dmh s LEU 66 CO 0.56 -0.29 0.02 -0.62 0.23 0.00 0.00 176.35 176.25 2dmh s ASP 67 N -3.79 1.77 0.02 2.29 2.15 -1.26 -4.89 116.67 112.96 2dmh s ASP 67 Ca 0.42 -1.27 0.07 0.00 0.43 0.00 0.00 52.55 52.20 2dmh s ASP 67 Cb -0.10 0.03 0.30 0.00 -0.30 0.00 0.00 42.92 42.85 2dmh s ASP 67 CO 0.35 -0.57 1.22 0.49 -0.17 0.00 0.00 175.17 176.49 2dmh n PHE 68 N -0.46 0.05 -0.08 -5.34 3.72 -1.26 -1.59 117.46 112.49 2dmh n PHE 68 Ca -0.04 0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2dmh n PHE 68 Cb 0.65 -0.53 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 2dmh n PHE 68 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dmh n SER 69 N -1.55 0.21 -4.54 4.37 7.64 -1.26 -4.49 113.62 114.01 2dmh n SER 69 Ca 0.01 0.09 -0.38 0.00 1.01 0.00 0.00 58.87 59.60 2dmh n SER 69 Cb 0.07 0.75 0.04 0.00 -1.01 0.00 0.00 64.21 64.06 2dmh n SER 69 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmh n SER 70 N -2.82 -0.15 -3.47 6.43 7.64 -0.62 -4.91 113.62 115.72 2dmh n SER 70 Ca -0.29 0.79 -0.10 0.00 1.01 0.00 0.00 58.87 60.27 2dmh n SER 70 Cb 1.13 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 2dmh n SER 70 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmh s SER 71 N -1.18 -0.46 -0.08 6.43 1.04 -1.26 -2.55 113.70 115.63 2dmh s SER 71 Ca 0.71 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 2dmh s SER 71 Cb -0.44 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 2dmh s SER 71 CO 0.51 -0.74 0.00 -0.22 0.98 0.00 0.00 173.24 173.77 2dmh s LEU 72 N -2.47 3.58 -0.26 2.42 2.96 0.51 -4.91 118.68 120.50 2dmh s LEU 72 Ca 0.02 0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2dmh s LEU 72 Cb -0.01 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2dmh s LEU 72 CO -0.09 0.37 0.10 -0.83 -1.32 0.00 0.00 176.35 174.59 2dmh s GLY 73 N -0.91 1.81 -0.34 7.98 0.00 -1.23 -0.66 107.32 113.97 2dmh s GLY 73 Ca 0.14 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 2dmh s GLY 73 CO 0.03 0.58 0.12 -0.42 0.00 0.00 0.00 173.10 173.41 2dmh s ILE 74 N 1.64 3.97 -0.16 0.90 -1.09 0.11 -2.94 121.20 123.62 2dmh s ILE 74 Ca 0.06 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 2dmh s ILE 74 Cb -0.16 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2dmh s ILE 74 CO 0.05 -0.15 -0.18 -0.63 -1.23 0.00 0.00 174.94 172.81 2dmh s ILE 75 N 1.45 2.34 -0.23 2.92 1.01 -0.66 0.43 121.20 128.47 2dmh s ILE 75 Ca -0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2dmh s ILE 75 Cb -0.19 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 2dmh s ILE 75 CO 0.04 0.53 -0.03 -0.69 0.00 0.00 0.00 174.94 174.78 2dmh s VAL 76 N 1.01 3.46 0.29 2.92 1.01 0.01 -1.88 120.40 127.22 2dmh s VAL 76 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dmh s VAL 76 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2dmh s VAL 76 CO -0.05 0.40 0.15 -0.54 0.00 0.00 0.00 175.10 175.06 2dmh s LYS 77 N 1.49 1.54 -0.43 2.72 1.02 -1.21 0.11 119.74 124.98 2dmh s LYS 77 Ca 0.06 -1.87 -0.21 0.00 0.02 0.00 0.00 55.97 53.97 2dmh s LYS 77 Cb -0.14 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.12 2dmh s LYS 77 CO -0.03 -0.43 0.64 0.34 -0.92 0.00 0.00 175.35 174.95 2dmh s ASP 78 N -3.35 6.33 0.14 2.83 2.15 -1.26 -2.39 116.67 121.12 2dmh s ASP 78 Ca 0.36 -0.32 -0.23 0.00 0.43 0.00 0.00 52.55 52.80 2dmh s ASP 78 Cb 0.05 -2.32 -0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2dmh s ASP 78 CO 0.17 -0.77 1.24 0.33 -0.17 0.00 0.00 175.17 175.98 2dmh n PHE 79 N 6.24 -0.28 -0.35 -5.34 7.35 -0.87 0.61 117.46 124.81 2dmh n PHE 79 Ca -0.02 1.01 0.04 0.00 -0.76 0.00 0.00 57.45 57.72 2dmh n PHE 79 Cb 0.48 -0.61 0.12 0.00 0.35 0.00 0.00 39.48 39.81 2dmh n PHE 79 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2dmh n GLU 80 N -5.05 -0.12 -2.59 -4.13 4.71 -1.26 -3.95 120.64 108.25 2dmh n GLU 80 Ca 0.03 1.51 -0.43 0.00 -0.01 0.00 0.00 57.16 58.26 2dmh n GLU 80 Cb 0.23 -2.25 -0.02 0.00 -1.01 0.00 0.00 31.44 28.39 2dmh n GLU 80 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2dmh s THR 81 N -6.16 4.39 0.00 2.62 -4.23 0.20 -4.87 115.64 107.60 2dmh s THR 81 Ca -0.14 1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 61.88 2dmh s THR 81 Cb 0.25 -4.40 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 2dmh s THR 81 CO 0.74 -0.57 -0.11 -0.38 -0.54 0.00 0.00 174.62 173.76 2dmh n ILE 82 N 6.10 1.24 -1.00 2.99 2.08 -1.25 -4.59 119.36 124.92 2dmh n ILE 82 Ca 0.12 0.31 -0.14 0.00 0.56 0.00 0.00 62.75 63.60 2dmh n ILE 82 Cb 0.47 -1.81 -0.07 0.00 -0.75 0.00 0.00 39.64 37.49 2dmh n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dmh n GLY 83 N 2.79 3.46 3.35 7.39 0.00 -1.26 -4.80 105.19 116.11 2dmh n GLY 83 Ca -0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2dmh n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmh s GLN 84 N -0.45 0.54 -0.06 1.61 -1.52 -1.26 -5.04 119.66 113.48 2dmh s GLN 84 Ca 0.44 0.62 -0.02 0.00 -1.95 0.00 0.00 55.36 54.45 2dmh s GLN 84 Cb 0.26 0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 33.27 2dmh s GLN 84 CO -0.06 -0.07 2.42 0.09 -0.25 0.00 0.00 175.29 177.43 2dmh n ASN 85 N 2.79 5.51 -2.01 5.90 4.13 -1.26 -4.55 115.26 125.77 2dmh n ASN 85 Ca -0.13 -2.54 -0.17 0.00 1.68 0.00 0.00 54.58 53.41 2dmh n ASN 85 Cb 0.57 -1.20 -0.01 0.00 -1.54 0.00 0.00 39.78 37.61 2dmh n ASN 85 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2dmh n LYS 86 N 1.57 1.88 -1.78 3.52 4.76 -1.26 -4.96 118.16 121.90 2dmh n LYS 86 Ca 0.16 -1.55 -0.40 0.00 -2.87 0.00 0.00 58.31 53.65 2dmh n LYS 86 Cb 0.61 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 2dmh n LYS 86 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2dmh s LEU 87 N -1.58 4.18 -0.11 -0.35 0.05 -1.26 -4.34 118.68 115.27 2dmh s LEU 87 Ca 0.37 2.99 -0.21 0.00 0.05 0.00 0.00 54.13 57.33 2dmh s LEU 87 Cb 0.26 -3.85 -0.18 0.00 -2.05 0.00 0.00 46.19 40.37 2dmh s LEU 87 CO -0.06 -1.10 0.62 0.40 -0.55 0.00 0.00 176.35 175.67 2dmh h ILE 88 N 2.52 1.23 -1.35 1.48 2.04 0.41 -3.46 117.51 120.38 2dmh h ILE 88 Ca -0.51 -1.82 0.13 0.00 1.00 0.00 0.00 64.86 63.66 2dmh h ILE 88 Cb 1.26 2.28 -0.29 0.00 -0.74 0.00 0.00 36.82 39.32 2dmh h ILE 88 CO 0.62 0.40 0.63 -0.83 0.00 0.00 0.00 178.15 178.97 2dmh s GLY 89 N -3.89 0.13 0.34 5.37 0.00 -0.61 -4.67 107.32 103.99 2dmh s GLY 89 Ca -0.13 3.16 0.09 0.00 0.00 0.00 0.00 44.72 47.83 2dmh s GLY 89 CO 0.50 2.07 0.08 -0.51 0.00 0.00 0.00 173.10 175.24 2dmh s THR 90 N 0.39 2.80 -0.28 0.90 -4.23 0.77 -0.81 115.64 115.18 2dmh s THR 90 Ca 0.02 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.48 2dmh s THR 90 Cb -0.05 -2.89 0.12 0.00 1.34 0.00 0.00 72.50 71.02 2dmh s THR 90 CO -0.11 -0.18 0.94 0.00 -0.54 0.00 0.00 174.62 174.73 2dmh s ALA 91 N -2.48 -2.04 -0.16 3.99 0.00 0.17 -0.99 121.76 120.25 2dmh s ALA 91 Ca 0.36 2.06 -0.06 0.00 0.00 0.00 0.00 51.96 54.33 2dmh s ALA 91 Cb -0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2dmh s ALA 91 CO 0.21 -0.30 0.02 0.99 0.00 0.00 0.00 175.76 176.68 2dmh s THR 92 N 0.76 4.42 -0.32 0.00 2.01 -1.26 0.04 115.64 121.29 2dmh s THR 92 Ca -0.03 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 2dmh s THR 92 Cb -0.05 -2.96 0.04 0.00 0.01 0.00 0.00 72.50 69.54 2dmh s THR 92 CO -0.10 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 2dmh s VAL 93 N 0.27 3.36 -0.00 3.82 1.01 0.17 -4.96 120.40 124.06 2dmh s VAL 93 Ca 0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 2dmh s VAL 93 Cb -0.13 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2dmh s VAL 93 CO 0.01 -0.14 1.41 0.00 0.00 0.00 0.00 175.10 176.39 2dmh s ALA 94 N 1.32 3.59 -2.34 5.51 0.00 -1.26 -0.37 121.76 128.21 2dmh s ALA 94 Ca -0.04 0.89 0.23 0.00 0.00 0.00 0.00 51.96 53.04 2dmh s ALA 94 Cb -0.20 -3.60 0.89 0.00 0.00 0.00 0.00 23.12 20.21 2dmh s ALA 94 CO 0.01 -0.94 1.63 1.28 0.00 0.00 0.00 175.76 177.74 2dmh n LEU 95 N 5.45 1.54 0.22 0.00 4.77 -1.06 -4.09 117.00 123.84 2dmh n LEU 95 Ca 0.13 -0.60 0.18 0.00 -0.03 0.00 0.00 56.01 55.70 2dmh n LEU 95 Cb 0.44 -0.06 0.85 0.00 -2.33 0.00 0.00 43.42 42.31 2dmh n LEU 95 CO 0.59 0.30 1.15 0.07 -1.33 0.00 0.00 177.39 178.17 2dmh h LYS 96 N 2.17 0.00 0.00 3.23 5.09 -1.74 0.37 116.57 125.68 2dmh h LYS 96 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.63 2dmh h LYS 96 Cb 0.47 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.78 2dmh h LYS 96 CO 0.00 0.00 -0.52 -0.44 -2.09 0.00 0.00 179.45 176.40 2dmh h ASP 97 N 0.00 0.00 0.32 7.07 3.32 -1.93 -3.27 116.42 121.92 2dmh h ASP 97 Ca 0.08 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.80 2dmh h ASP 97 Cb 0.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2dmh h ASP 97 CO -0.00 0.52 -1.57 -0.07 -1.72 0.00 0.00 179.24 176.40 2dmh h LEU 98 N 0.00 0.62 -9.25 1.55 3.38 -0.60 -3.46 115.31 107.55 2dmh h LEU 98 Ca -0.01 -0.79 -0.68 0.00 0.09 0.00 0.00 57.88 56.49 2dmh h LEU 98 Cb 1.28 -0.20 0.07 0.00 0.09 0.00 0.00 40.66 41.89 2dmh h LEU 98 CO 0.07 1.65 0.29 0.35 0.09 0.00 0.00 178.44 180.89 2dmh n THR 99 N -3.59 0.44 0.00 0.22 -2.24 -0.75 -4.63 114.28 103.73 2dmh n THR 99 Ca -0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2dmh n THR 99 Cb 1.07 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2dmh n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmh n GLY 100 N 2.17 0.00 4.02 3.38 0.00 -1.26 -4.94 105.19 108.56 2dmh n GLY 100 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2dmh n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dmh n ASP 101 N 0.00 -1.39 -3.57 1.61 -0.08 -1.26 -4.84 116.55 107.02 2dmh n ASP 101 Ca 0.00 -1.04 -0.02 0.00 -1.51 0.00 0.00 54.79 52.23 2dmh n ASP 101 Cb 0.00 -1.32 -0.05 0.00 2.34 0.00 0.00 41.12 42.09 2dmh n ASP 101 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmh s GLN 102 N -6.19 0.47 0.08 -0.67 -2.07 -1.26 -4.94 119.66 105.07 2dmh s GLN 102 Ca 0.66 1.03 -0.35 0.00 -1.82 0.00 0.00 55.36 54.87 2dmh s GLN 102 Cb -0.38 0.45 -0.19 0.00 -1.09 0.00 0.00 33.01 31.80 2dmh s GLN 102 CO 0.85 -0.14 0.86 0.45 -1.32 0.00 0.00 175.29 175.99 2dmh n SER 103 N 4.75 -0.47 -3.79 12.60 2.88 -1.26 -4.90 113.62 123.44 2dmh n SER 103 Ca -0.14 1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 58.42 2dmh n SER 103 Cb 0.54 -0.94 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 2dmh n SER 103 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2dmh s ARG 104 N -0.39 0.14 -0.26 -1.46 6.06 -0.91 -4.96 118.95 117.16 2dmh s ARG 104 Ca 0.80 0.29 -0.01 0.00 -2.50 0.00 0.00 55.73 54.31 2dmh s ARG 104 Cb -1.13 -0.04 0.08 0.00 0.06 0.00 0.00 34.95 33.92 2dmh s ARG 104 CO 0.57 -0.09 0.06 -1.54 -2.50 0.00 0.00 175.30 171.80 2dmh s SER 105 N 0.59 3.63 -0.23 -2.12 1.04 -1.26 -0.03 113.70 115.31 2dmh s SER 105 Ca -0.04 -1.30 -0.05 0.00 0.48 0.00 0.00 55.95 55.04 2dmh s SER 105 Cb -0.06 -0.81 -0.01 0.00 0.10 0.00 0.00 66.02 65.24 2dmh s SER 105 CO -0.03 -0.36 -0.02 -0.76 0.98 0.00 0.00 173.24 173.06 2dmh s LEU 106 N 1.67 3.04 -0.49 2.42 1.43 -1.11 -5.00 118.68 120.65 2dmh s LEU 106 Ca 0.04 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 2dmh s LEU 106 Cb -0.17 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2dmh s LEU 106 CO -0.17 -0.03 1.78 -2.16 0.23 0.00 0.00 176.35 176.00 2dmh s PRO 107 N 1.50 3.00 -0.61 1.29 0.04 -1.26 -3.72 135.00 135.24 2dmh s PRO 107 Ca 0.06 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 2dmh s PRO 107 Cb -0.15 -4.28 0.08 0.00 0.04 0.00 0.00 34.50 30.20 2dmh s PRO 107 CO -0.02 -2.28 0.82 0.71 0.04 0.00 0.00 177.00 176.28 2dmh s TYR 108 N 7.84 2.85 0.41 0.56 2.02 0.21 -4.96 117.35 126.28 2dmh s TYR 108 Ca 0.71 -0.71 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 2dmh s TYR 108 Cb -0.16 -4.11 -0.07 0.00 -0.40 0.00 0.00 41.96 37.22 2dmh s TYR 108 CO 0.27 -1.44 0.02 0.15 -1.57 0.00 0.00 175.55 172.98 2dmh s LYS 109 N 3.35 1.94 -1.51 -0.62 1.02 -1.26 -0.03 119.74 122.63 2dmh s LYS 109 Ca 0.17 -2.12 -0.06 0.00 0.02 0.00 0.00 55.97 53.99 2dmh s LYS 109 Cb -0.20 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2dmh s LYS 109 CO 0.09 -0.13 0.60 1.28 -0.92 0.00 0.00 175.35 176.27 2dmh n LEU 110 N -0.96 -2.49 -4.64 3.17 4.32 -1.26 -4.91 117.00 110.24 2dmh n LEU 110 Ca -0.07 -0.31 -0.43 0.00 -0.02 0.00 0.00 56.01 55.19 2dmh n LEU 110 Cb 0.67 -2.82 -0.02 0.00 -1.62 0.00 0.00 43.42 39.62 2dmh n LEU 110 CO 0.46 0.23 1.15 -0.63 -1.22 0.00 0.00 177.39 177.38 2dmh s ILE 111 N -3.14 4.12 -0.58 -0.08 1.01 -1.25 -4.89 121.20 116.39 2dmh s ILE 111 Ca 0.33 1.28 -0.28 0.00 0.00 0.00 0.00 60.65 61.98 2dmh s ILE 111 Cb -0.15 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2dmh s ILE 111 CO 0.40 -0.37 1.44 -0.44 0.00 0.00 0.00 174.94 175.98 2dmh s SER 112 N 2.78 6.06 0.44 3.58 0.01 -1.26 -3.50 113.70 121.80 2dmh s SER 112 Ca 0.58 0.23 -0.22 0.00 1.31 0.00 0.00 55.95 57.85 2dmh s SER 112 Cb -0.19 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 2dmh s SER 112 CO 0.22 -1.78 1.00 -0.76 0.41 0.00 0.00 173.24 172.33 2dmh s LEU 113 N 6.29 3.97 0.28 2.44 1.43 -0.72 -4.84 118.68 127.52 2dmh s LEU 113 Ca 0.52 1.86 0.07 0.00 -1.03 0.00 0.00 54.13 55.56 2dmh s LEU 113 Cb -0.11 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2dmh s LEU 113 CO 0.24 -0.53 -0.08 -0.76 0.23 0.00 0.00 176.35 175.44 2dmh s LEU 114 N -3.12 2.53 0.00 1.79 1.43 -0.16 -0.57 118.68 120.57 2dmh s LEU 114 Ca 0.62 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2dmh s LEU 114 Cb -0.15 -0.71 0.11 0.00 0.03 0.00 0.00 46.19 45.47 2dmh s LEU 114 CO 0.19 -0.28 0.73 -0.46 0.23 0.00 0.00 176.35 176.76 2dmh n ASN 115 N -0.58 0.58 0.30 2.29 0.23 -1.03 -0.16 115.26 116.88 2dmh n ASN 115 Ca -0.06 -1.58 0.19 0.00 -0.53 0.00 0.00 54.58 52.60 2dmh n ASN 115 Cb 0.63 -0.51 1.04 0.00 -2.08 0.00 0.00 39.78 38.86 2dmh n ASN 115 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2dmh h GLU 116 N 0.00 0.00 0.00 -3.83 4.11 -1.93 0.10 114.58 113.04 2dmh h GLU 116 Ca -0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.16 2dmh h GLU 116 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2dmh h GLU 116 CO 0.22 0.00 -1.32 1.63 0.07 0.00 0.00 179.01 179.61 2dmh n LYS 117 N -2.86 0.62 -0.14 1.06 4.76 -1.26 -4.97 118.16 115.36 2dmh n LYS 117 Ca -0.03 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2dmh n LYS 117 Cb 0.09 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 2dmh n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dmh n GLY 118 N 1.24 1.09 3.69 0.72 0.00 0.36 -5.08 105.19 107.21 2dmh n GLY 118 Ca -0.03 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2dmh n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmh s GLN 119 N -0.46 4.18 -0.60 1.61 -0.21 -1.26 -4.75 119.66 118.17 2dmh s GLN 119 Ca 0.00 0.03 -0.37 0.00 0.02 0.00 0.00 55.36 55.03 2dmh s GLN 119 Cb 0.00 -3.49 -0.17 0.00 1.00 0.00 0.00 33.01 30.34 2dmh s GLN 119 CO 0.00 0.10 2.32 -0.40 -2.12 0.00 0.00 175.29 175.19 2dmh n ASP 120 N 4.06 1.02 0.14 5.90 5.75 -1.26 -2.47 116.55 129.70 2dmh n ASP 120 Ca -0.12 0.41 -0.01 0.00 -0.01 0.00 0.00 54.79 55.06 2dmh n ASP 120 Cb 0.52 -1.03 0.22 0.00 -1.03 0.00 0.00 41.12 39.80 2dmh n ASP 120 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2dmh h THR 121 N 7.34 1.38 0.00 2.12 1.35 -1.16 -3.48 112.91 120.47 2dmh h THR 121 Ca -0.13 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 2dmh h THR 121 Cb 1.36 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 2dmh h THR 121 CO 1.16 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 177.57 2dmh n GLY 122 N 0.01 1.52 3.24 5.82 0.00 -1.25 -4.82 105.19 109.71 2dmh n GLY 122 Ca -0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2dmh n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmh s ALA 123 N -2.00 2.22 -0.15 4.61 0.00 -1.20 -4.50 121.76 120.75 2dmh s ALA 123 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2dmh s ALA 123 Cb 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2dmh s ALA 123 CO 0.00 0.27 -0.10 0.95 0.00 0.00 0.00 175.76 176.88 2dmh s THR 124 N 0.36 3.22 -0.08 0.00 -4.23 -0.42 -1.75 115.64 112.73 2dmh s THR 124 Ca -0.18 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 2dmh s THR 124 Cb -0.18 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2dmh s THR 124 CO 0.08 0.50 -0.21 -0.51 -0.54 0.00 0.00 174.62 173.95 2dmh s ILE 125 N 0.61 1.78 -0.15 2.99 2.07 -1.23 -0.47 121.20 126.80 2dmh s ILE 125 Ca -0.06 -0.86 -0.20 0.00 -1.41 0.00 0.00 60.65 58.11 2dmh s ILE 125 Cb -0.15 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 40.86 2dmh s ILE 125 CO 0.03 0.50 0.59 -1.81 -1.91 0.00 0.00 174.94 172.34 2dmh s ASP 126 N 0.35 6.73 -0.00 4.50 1.01 0.47 -3.80 116.67 125.93 2dmh s ASP 126 Ca -0.15 0.88 -0.03 0.00 0.71 0.00 0.00 52.55 53.96 2dmh s ASP 126 Cb -0.17 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 2dmh s ASP 126 CO 0.07 -0.15 0.06 -0.76 0.21 0.00 0.00 175.17 174.59 2dmh s LEU 127 N 1.29 1.84 -0.29 1.23 1.43 0.95 -2.55 118.68 122.58 2dmh s LEU 127 Ca 0.29 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2dmh s LEU 127 Cb -0.16 0.33 0.08 0.00 0.03 0.00 0.00 46.19 46.48 2dmh s LEU 127 CO 0.12 -0.23 0.03 -0.69 0.23 0.00 0.00 176.35 175.81 2dmh s VAL 128 N -0.91 1.53 -0.10 -1.59 1.01 -0.58 0.68 120.40 120.45 2dmh s VAL 128 Ca -0.10 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.17 2dmh s VAL 128 Cb -0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2dmh s VAL 128 CO 0.00 -0.44 0.23 -0.63 0.00 0.00 0.00 175.10 174.27 2dmh s ILE 129 N 1.32 5.34 -0.08 2.22 1.01 -1.24 -1.29 121.20 128.48 2dmh s ILE 129 Ca 0.04 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.13 2dmh s ILE 129 Cb -0.18 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2dmh s ILE 129 CO -0.13 0.57 -0.09 -0.83 0.00 0.00 0.00 174.94 174.46 2dmh s GLY 130 N -0.74 0.74 0.11 6.18 0.00 -0.23 -2.74 107.32 110.64 2dmh s GLY 130 Ca 0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 2dmh s GLY 130 CO 0.06 0.45 0.43 -0.47 0.00 0.00 0.00 173.10 173.57 2dmh s TYR 131 N 1.12 3.56 -0.16 1.90 5.04 0.95 -2.40 117.35 127.35 2dmh s TYR 131 Ca -0.06 0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 55.32 2dmh s TYR 131 Cb -0.14 -2.17 0.07 0.00 0.35 0.00 0.00 41.96 40.06 2dmh s TYR 131 CO -0.01 0.47 0.16 0.34 -1.34 0.00 0.00 175.55 175.17 2dmh s ASP 132 N -1.90 1.53 0.30 4.32 -1.08 -1.24 -2.15 116.67 116.45 2dmh s ASP 132 Ca 0.36 -0.20 -0.29 0.00 -0.52 0.00 0.00 52.55 51.90 2dmh s ASP 132 Cb -0.14 0.13 -0.10 0.00 -1.46 0.00 0.00 42.92 41.35 2dmh s ASP 132 CO 0.19 -0.31 1.23 -2.16 0.52 0.00 0.00 175.17 174.65 2dmh s PRO 133 N 2.25 4.46 0.67 4.34 0.04 -1.26 -3.18 135.00 142.32 2dmh s PRO 133 Ca 0.04 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2dmh s PRO 133 Cb -0.15 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2dmh s PRO 133 CO -0.09 -0.05 1.11 -1.25 0.04 0.00 0.00 177.00 176.76 2dmh s PRO 134 N -1.53 2.75 -0.04 0.56 0.04 -1.26 -4.57 135.00 130.95 2dmh s PRO 134 Ca 0.48 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.96 2dmh s PRO 134 Cb -0.37 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.48 2dmh s PRO 134 CO 0.48 -1.29 1.07 -1.13 0.04 0.00 0.00 177.00 176.16 2dmh n SER 135 N -2.52 1.97 -3.08 6.66 3.41 -1.26 -4.18 113.62 114.62 2dmh n SER 135 Ca 0.10 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2dmh n SER 135 Cb 0.52 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2dmh n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmh n GLY 136 N 0.58 -2.62 0.10 5.00 0.00 -1.26 -4.83 105.19 102.16 2dmh n GLY 136 Ca 0.09 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.85 2dmh n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmh n PRO 137 N -0.89 0.15 -0.06 1.61 -0.04 -1.26 -2.98 135.00 131.54 2dmh n PRO 137 Ca 0.00 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2dmh n PRO 137 Cb 0.00 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 2dmh n PRO 137 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dmh h SER 138 N 0.00 0.53 -3.62 3.54 0.02 -1.89 -3.44 113.55 108.69 2dmh h SER 138 Ca 0.00 -0.52 -0.57 0.00 -0.84 0.00 0.00 61.79 59.86 2dmh h SER 138 Cb 0.33 -0.15 0.15 0.00 0.14 0.00 0.00 62.40 62.87 2dmh h SER 138 CO 0.00 0.95 0.32 -1.54 -1.14 0.00 0.00 176.83 175.42 2dmh n SER 139 N -4.40 1.64 0.00 3.07 3.41 -1.16 -5.13 113.62 111.04 2dmh n SER 139 Ca -0.06 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2dmh n SER 139 Cb 0.45 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2dmh n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49