#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmh n SER 2 N 0.00 1.16 -4.19 1.61 3.41 -1.26 -4.90 113.62 109.45 2dmh n SER 2 Ca 0.00 0.90 -0.34 0.00 -0.26 0.00 0.00 58.87 59.17 2dmh n SER 2 Cb 0.00 -0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 62.87 2dmh n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmh s SER 3 N 4.70 4.05 0.50 4.04 1.04 -1.26 -5.06 113.70 121.72 2dmh s SER 3 Ca 1.12 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2dmh s SER 3 Cb -1.42 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 63.07 2dmh s SER 3 CO 0.71 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.46 2dmh n GLY 4 N 4.66 0.09 3.54 7.32 0.00 -1.26 -4.28 105.19 115.26 2dmh n GLY 4 Ca -0.18 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2dmh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmh n SER 5 N -3.50 2.48 -2.50 1.61 7.64 -1.26 -4.82 113.62 113.27 2dmh n SER 5 Ca 0.00 -0.01 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 2dmh n SER 5 Cb 0.00 -1.46 0.05 0.00 -1.01 0.00 0.00 64.21 61.79 2dmh n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmh n SER 6 N 12.74 6.99 -2.17 6.43 3.41 -1.26 -1.68 113.62 138.08 2dmh n SER 6 Ca 0.37 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 2dmh n SER 6 Cb 0.41 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2dmh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmh n GLY 7 N -0.72 -5.55 3.10 5.00 0.00 -1.26 -0.25 105.19 105.51 2dmh n GLY 7 Ca 0.55 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.57 0.24 -0.35 1.61 -2.45 -1.21 -1.00 119.30 115.57 2dmh s MET 8 Ca 0.00 0.61 -0.09 0.00 -1.25 0.00 0.00 55.69 54.96 2dmh s MET 8 Cb 0.00 -0.09 0.02 0.00 1.25 0.00 0.00 34.83 36.02 2dmh s MET 8 CO 0.00 -0.17 0.16 -1.17 1.05 0.00 0.00 175.02 174.89 2dmh s LEU 9 N 1.42 4.44 -0.07 4.11 2.96 -1.00 -3.20 118.68 127.34 2dmh s LEU 9 Ca -0.08 -0.93 -0.21 0.00 -0.22 0.00 0.00 54.13 52.69 2dmh s LEU 9 Cb -0.10 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2dmh s LEU 9 CO -0.10 -0.32 0.59 -0.13 -1.32 0.00 0.00 176.35 175.07 2dmh s ARG 10 N 1.52 4.37 -0.36 1.98 0.52 -0.63 -2.31 118.95 124.04 2dmh s ARG 10 Ca 0.02 0.67 0.03 0.00 -0.52 0.00 0.00 55.73 55.93 2dmh s ARG 10 Cb -0.19 -3.42 0.10 0.00 0.52 0.00 0.00 34.95 31.97 2dmh s ARG 10 CO 0.05 0.17 0.09 0.08 0.02 0.00 0.00 175.30 175.70 2dmh s VAL 11 N 0.52 2.08 0.13 3.52 1.01 -0.43 -0.50 120.40 126.73 2dmh s VAL 11 Ca 0.32 -2.33 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 2dmh s VAL 11 Cb -0.17 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 2dmh s VAL 11 CO 0.15 -0.64 0.75 -0.63 0.00 0.00 0.00 175.10 174.72 2dmh s ILE 12 N 0.86 4.49 -0.37 2.22 1.01 -0.21 -1.70 121.20 127.49 2dmh s ILE 12 Ca 0.12 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.41 2dmh s ILE 12 Cb -0.20 -4.10 0.11 0.00 0.01 0.00 0.00 42.46 38.28 2dmh s ILE 12 CO -0.09 0.50 0.11 -0.69 0.00 0.00 0.00 174.94 174.76 2dmh s VAL 13 N -0.92 2.55 0.00 2.92 1.01 -0.09 -1.34 120.40 124.53 2dmh s VAL 13 Ca 0.35 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 59.96 2dmh s VAL 13 Cb -0.22 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2dmh s VAL 13 CO 0.25 -0.64 0.57 -0.62 0.00 0.00 0.00 175.10 174.65 2dmh n GLU 14 N 4.22 0.00 -3.62 2.72 -0.58 -0.94 0.81 120.64 123.25 2dmh n GLU 14 Ca 0.03 0.25 -0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2dmh n GLU 14 Cb 0.41 -1.13 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 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 -2.00 -0.09 0.33 1.62 1.04 -1.25 -0.44 113.70 112.92 2dmh s SER 15 Ca 0.00 -0.12 0.10 0.00 0.48 0.00 0.00 55.95 56.41 2dmh s SER 15 Cb 0.00 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.24 2dmh s SER 15 CO 0.00 -0.33 -0.09 0.00 0.98 0.00 0.00 173.24 173.80 2dmh s ALA 16 N -2.49 2.98 0.18 5.32 0.00 -0.67 -2.00 121.76 125.08 2dmh s ALA 16 Ca 0.13 -2.03 -0.21 0.00 0.00 0.00 0.00 51.96 49.84 2dmh s ALA 16 Cb 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.05 2dmh s ALA 16 CO -0.04 0.11 0.59 -1.12 0.00 0.00 0.00 175.76 175.30 2dmh s SER 17 N -3.62 -0.43 -0.80 0.00 0.01 0.02 -3.40 113.70 105.49 2dmh s SER 17 Ca 0.33 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.31 2dmh s SER 17 Cb 0.01 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.85 2dmh s SER 17 CO 0.17 -1.04 0.69 0.59 0.41 0.00 0.00 173.24 174.05 2dmh n ASN 18 N -0.37 -4.56 -4.77 2.44 3.02 -1.26 -0.96 115.26 108.80 2dmh n ASN 18 Ca -0.13 -0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 53.71 2dmh n ASN 18 Cb 0.63 -3.15 -0.06 0.00 -0.61 0.00 0.00 39.78 36.60 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 -3.18 4.55 -0.56 2.41 1.01 -1.26 -3.00 121.20 121.17 2dmh s ILE 19 Ca 0.34 1.63 -0.27 0.00 0.00 0.00 0.00 60.65 62.35 2dmh s ILE 19 Cb -0.15 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2dmh s ILE 19 CO 0.42 0.46 1.83 -2.16 0.00 0.00 0.00 174.94 175.50 2dmh s PRO 20 N -0.70 2.77 1.17 2.79 0.04 -1.26 -4.94 135.00 134.87 2dmh s PRO 20 Ca 0.36 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 2dmh s PRO 20 Cb -0.22 -4.35 0.26 0.00 0.04 0.00 0.00 34.50 30.23 2dmh s PRO 20 CO 0.24 -2.56 0.57 0.36 0.04 0.00 0.00 177.00 175.66 2dmh n LYS 21 N 9.03 -3.28 -3.98 4.56 2.85 -1.26 -4.89 118.16 121.18 2dmh n LYS 21 Ca 0.21 -0.97 -0.19 0.00 -1.05 0.00 0.00 58.31 56.30 2dmh n LYS 21 Cb 0.51 -1.63 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 2dmh n LYS 21 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2dmh n THR 22 N -4.94 0.00 0.42 0.58 -2.24 -1.24 -4.95 114.28 101.91 2dmh n THR 22 Ca 0.09 -2.04 0.12 0.00 -2.27 0.00 0.00 64.05 59.94 2dmh n THR 22 Cb 0.42 0.85 0.48 0.00 -2.10 0.00 0.00 70.33 69.99 2dmh n THR 22 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dmh n LYS 23 N -0.68 0.20 -0.73 -0.78 5.02 -1.26 -2.26 118.16 117.67 2dmh n LYS 23 Ca -0.00 0.40 0.03 0.00 -2.02 0.00 0.00 58.31 56.72 2dmh n LYS 23 Cb 0.52 -1.86 0.30 0.00 -0.02 0.00 0.00 35.03 33.97 2dmh n LYS 23 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2dmh n PHE 24 N -2.23 1.70 0.00 2.13 3.72 -1.26 -4.97 117.46 116.56 2dmh n PHE 24 Ca 0.02 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2dmh n PHE 24 Cb 0.25 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2dmh n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dmh n GLY 25 N 0.35 2.13 3.04 1.37 0.00 -0.96 -4.78 105.19 106.34 2dmh n GLY 25 Ca 0.24 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.21 1.12 1.61 1.02 -1.26 -3.72 119.74 118.72 2dmh s LYS 26 Ca 0.00 0.76 -0.19 0.00 0.02 0.00 0.00 55.97 56.56 2dmh s LYS 26 Cb 0.00 -0.07 0.28 0.00 -0.52 0.00 0.00 37.83 37.52 2dmh s LYS 26 CO 0.00 -0.33 1.00 -0.35 -0.92 0.00 0.00 175.35 174.75 2dmh n PRO 27 N 5.36 -2.96 -3.59 -1.68 -0.04 -1.26 -4.26 135.00 126.57 2dmh n PRO 27 Ca -0.06 -1.60 -0.40 0.00 -0.04 0.00 0.00 63.50 61.40 2dmh n PRO 27 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2dmh n PRO 27 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dmh s ASP 28 N -4.20 5.70 0.49 3.54 1.47 -1.26 -3.16 116.67 119.25 2dmh s ASP 28 Ca 0.65 -2.55 -0.22 0.00 1.18 0.00 0.00 52.55 51.62 2dmh s ASP 28 Cb -0.06 -1.97 -0.07 0.00 -0.34 0.00 0.00 42.92 40.48 2dmh s ASP 28 CO 0.50 -0.50 1.15 -2.16 0.68 0.00 0.00 175.17 174.84 2dmh s PRO 29 N 0.40 3.62 -0.21 2.11 0.04 -1.26 -2.28 135.00 137.42 2dmh s PRO 29 Ca 0.14 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 2dmh s PRO 29 Cb -0.19 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2dmh s PRO 29 CO -0.04 -0.65 0.56 -1.50 0.04 0.00 0.00 177.00 175.40 2dmh s ILE 30 N -1.62 -0.00 -0.16 0.56 2.07 -1.06 -3.26 121.20 117.73 2dmh s ILE 30 Ca 0.67 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.78 2dmh s ILE 30 Cb -0.27 -0.78 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 2dmh s ILE 30 CO 0.32 0.00 0.28 -0.69 -1.91 0.00 0.00 174.94 172.94 2dmh s VAL 31 N 0.30 5.31 -0.24 4.00 1.01 -1.26 -3.23 120.40 126.29 2dmh s VAL 31 Ca -0.00 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2dmh s VAL 31 Cb -0.04 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.79 2dmh s VAL 31 CO 0.01 0.41 -0.03 -0.44 0.00 0.00 0.00 175.10 175.05 2dmh s SER 32 N 0.34 3.86 -0.06 3.32 0.01 -1.06 -0.91 113.70 119.20 2dmh s SER 32 Ca 0.16 -1.24 -0.14 0.00 1.31 0.00 0.00 55.95 56.04 2dmh s SER 32 Cb -0.13 -1.14 -0.05 0.00 0.21 0.00 0.00 66.02 64.91 2dmh s SER 32 CO 0.04 -0.26 0.36 -0.69 0.41 0.00 0.00 173.24 173.09 2dmh s VAL 33 N 1.41 5.17 -0.14 3.43 1.01 0.12 -2.69 120.40 128.71 2dmh s VAL 33 Ca -0.03 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2dmh s VAL 33 Cb -0.19 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2dmh s VAL 33 CO -0.08 0.51 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 2dmh s ILE 34 N -0.54 0.85 -0.22 2.22 1.09 -1.04 -0.76 121.20 122.80 2dmh s ILE 34 Ca 0.21 -0.38 -0.16 0.00 -1.10 0.00 0.00 60.65 59.23 2dmh s ILE 34 Cb -0.15 -1.03 0.06 0.00 -1.06 0.00 0.00 42.46 40.28 2dmh s ILE 34 CO 0.10 0.16 0.55 0.12 -0.10 0.00 0.00 174.94 175.77 2dmh s PHE 35 N 1.76 -0.73 -1.17 3.97 5.36 -0.75 -3.43 117.98 123.00 2dmh s PHE 35 Ca 0.02 1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.56 2dmh s PHE 35 Cb -0.14 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 2dmh s PHE 35 CO -0.07 -0.37 1.00 1.63 -1.46 0.00 0.00 175.22 175.94 2dmh n LYS 36 N 3.61 -6.66 -2.43 10.12 4.76 -1.26 -1.94 118.16 124.36 2dmh n LYS 36 Ca -0.18 0.77 -0.17 0.00 -2.87 0.00 0.00 58.31 55.86 2dmh n LYS 36 Cb 0.57 -5.61 -0.01 0.00 -1.84 0.00 0.00 35.03 28.14 2dmh n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dmh n ASP 37 N -2.83 -4.99 -4.05 4.39 8.00 -1.26 -4.95 116.55 110.85 2dmh n ASP 37 Ca -0.15 0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.12 2dmh n ASP 37 Cb 0.61 -4.19 -0.16 0.00 -0.02 0.00 0.00 41.12 37.36 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dmh s GLU 38 N -5.05 2.47 -0.25 -1.24 -6.30 -0.82 -5.11 118.70 102.40 2dmh s GLU 38 Ca 0.01 -0.63 -0.09 0.00 -2.50 0.00 0.00 54.97 51.76 2dmh s GLU 38 Cb -0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 34.13 31.89 2dmh s GLU 38 CO 0.01 -0.21 0.12 0.21 0.02 0.00 0.00 175.26 175.41 2dmh s LYS 39 N 1.37 3.83 -0.07 4.30 2.20 -1.26 -1.80 119.74 128.30 2dmh s LYS 39 Ca 0.03 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2dmh s LYS 39 Cb -0.13 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2dmh s LYS 39 CO -0.10 -0.13 -0.04 0.15 -0.36 0.00 0.00 175.35 174.87 2dmh s LYS 40 N 1.53 0.97 0.19 4.03 1.02 0.06 -5.01 119.74 122.53 2dmh s LYS 40 Ca 0.06 -0.08 0.09 0.00 0.02 0.00 0.00 55.97 56.06 2dmh s LYS 40 Cb -0.15 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2dmh s LYS 40 CO 0.06 -0.20 -0.10 -1.59 -0.92 0.00 0.00 175.35 172.61 2dmh s LYS 41 N 1.46 2.03 0.61 1.68 0.00 -1.26 0.15 119.74 124.41 2dmh s LYS 41 Ca -0.02 -1.32 0.01 0.00 0.00 0.00 0.00 55.97 54.64 2dmh s LYS 41 Cb -0.13 -2.12 0.07 0.00 0.00 0.00 0.00 37.83 35.64 2dmh s LYS 41 CO -0.03 0.42 0.85 0.95 0.00 0.00 0.00 175.35 177.53 2dmh s THR 42 N -1.80 2.45 -0.19 3.79 -4.23 -0.09 -5.00 115.64 110.58 2dmh s THR 42 Ca 0.25 -0.66 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 2dmh s THR 42 Cb -0.08 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 2dmh s THR 42 CO 0.15 0.00 1.67 -1.59 -0.54 0.00 0.00 174.62 174.31 2dmh s LYS 43 N -4.88 3.82 0.16 3.99 -2.85 -1.26 -4.70 119.74 114.01 2dmh s LYS 43 Ca 0.61 1.78 -0.31 0.00 -1.00 0.00 0.00 55.97 57.04 2dmh s LYS 43 Cb -0.08 -4.05 -0.11 0.00 -2.06 0.00 0.00 37.83 31.52 2dmh s LYS 43 CO 0.40 -1.27 1.79 -1.59 0.10 0.00 0.00 175.35 174.78 2dmh s LYS 44 N 4.68 4.13 0.03 1.78 -2.85 -1.26 -4.91 119.74 121.34 2dmh s LYS 44 Ca 0.74 2.60 -0.20 0.00 -1.00 0.00 0.00 55.97 58.11 2dmh s LYS 44 Cb -0.27 -3.39 -0.06 0.00 -2.06 0.00 0.00 37.83 32.05 2dmh s LYS 44 CO 0.30 -0.81 0.59 0.08 0.10 0.00 0.00 175.35 175.61 2dmh s VAL 45 N 2.14 4.82 1.15 1.79 1.01 -1.20 -5.04 120.40 125.07 2dmh s VAL 45 Ca 0.79 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 2dmh s VAL 45 Cb -0.47 -3.93 0.17 0.00 0.00 0.00 0.00 36.38 32.15 2dmh s VAL 45 CO 0.35 0.48 0.30 -0.90 0.00 0.00 0.00 175.10 175.32 2dmh n ASP 46 N 2.27 -2.34 -3.24 3.32 5.68 -1.26 -4.16 116.55 116.82 2dmh n ASP 46 Ca -0.08 -0.19 -0.31 0.00 -0.50 0.00 0.00 54.79 53.71 2dmh n ASP 46 Cb 0.51 -1.02 -0.11 0.00 -1.14 0.00 0.00 41.12 39.36 2dmh n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2dmh n ASN 47 N -2.68 0.23 -3.64 -1.12 6.94 -1.26 -4.83 115.26 108.90 2dmh n ASN 47 Ca 0.01 0.15 -0.10 0.00 -0.02 0.00 0.00 54.58 54.63 2dmh n ASN 47 Cb 0.59 -0.66 -0.07 0.00 -2.36 0.00 0.00 39.78 37.28 2dmh n ASN 47 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2dmh s GLU 48 N 6.37 0.68 -0.04 -3.83 2.56 -1.19 -4.94 118.70 118.31 2dmh s GLU 48 Ca 0.98 0.94 -0.25 0.00 0.00 0.00 0.00 54.97 56.64 2dmh s GLU 48 Cb -0.92 0.26 -0.22 0.00 2.00 0.00 0.00 34.13 35.25 2dmh s GLU 48 CO 0.36 -0.10 1.11 -0.07 -0.56 0.00 0.00 175.26 176.00 2dmh h LEU 49 N 5.52 0.13 -7.52 2.70 4.07 -1.88 -3.39 115.31 114.95 2dmh h LEU 49 Ca -0.29 -0.68 -0.74 0.00 0.08 0.00 0.00 57.88 56.25 2dmh h LEU 49 Cb 1.19 -0.04 -0.32 0.00 1.08 0.00 0.00 40.66 42.57 2dmh h LEU 49 CO 0.11 0.79 -0.01 0.20 -1.08 0.00 0.00 178.44 178.45 2dmh s ASN 50 N -6.07 6.23 0.58 -0.43 0.02 -1.26 -4.09 114.94 109.91 2dmh s ASN 50 Ca -0.16 -3.30 -0.18 0.00 -1.02 0.00 0.00 52.86 48.19 2dmh s ASN 50 Cb 0.01 -2.01 -0.04 0.00 0.02 0.00 0.00 41.25 39.23 2dmh s ASN 50 CO 0.71 -0.32 1.12 -2.16 0.02 0.00 0.00 177.10 176.48 2dmh s PRO 51 N -0.75 3.19 -0.28 -0.60 0.04 -1.22 -4.81 135.00 130.56 2dmh s PRO 51 Ca 0.24 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2dmh s PRO 51 Cb -0.11 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2dmh s PRO 51 CO -0.09 -0.97 0.04 0.08 0.04 0.00 0.00 177.00 176.10 2dmh s VAL 52 N -1.95 1.26 -0.22 -0.36 1.01 -1.26 -1.67 120.40 117.21 2dmh s VAL 52 Ca 0.71 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 2dmh s VAL 52 Cb -0.23 -1.80 -0.18 0.00 0.00 0.00 0.00 36.38 34.17 2dmh s VAL 52 CO 0.31 -0.43 0.08 0.79 0.00 0.00 0.00 175.10 175.85 2dmh n TRP 53 N 4.72 0.76 -3.95 5.22 8.01 -1.09 -4.97 117.44 126.15 2dmh n TRP 53 Ca -0.05 0.30 -0.32 0.00 -1.31 0.00 0.00 57.50 56.12 2dmh n TRP 53 Cb 0.43 -1.08 -0.02 0.00 -2.01 0.00 0.00 31.31 28.63 2dmh n TRP 53 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2dmh n ASN 54 N -4.24 -3.40 -4.94 -0.99 3.02 0.24 -4.94 115.26 100.01 2dmh n ASN 54 Ca -0.38 -0.80 -0.22 0.00 -0.03 0.00 0.00 54.58 53.15 2dmh n ASN 54 Cb 0.78 -2.80 0.01 0.00 -0.61 0.00 0.00 39.78 37.16 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2dmh s GLU 55 N -6.63 2.40 -0.01 3.52 -1.05 -0.87 -4.90 118.70 111.15 2dmh s GLU 55 Ca 0.64 -1.70 0.04 0.00 -0.15 0.00 0.00 54.97 53.79 2dmh s GLU 55 Cb -0.35 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 30.94 2dmh s GLU 55 CO 0.79 -0.53 -0.12 0.42 0.95 0.00 0.00 175.26 176.77 2dmh s ILE 56 N -2.62 0.98 0.27 1.83 1.01 -1.26 -0.91 121.20 120.50 2dmh s ILE 56 Ca 0.48 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.69 2dmh s ILE 56 Cb -0.04 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2dmh s ILE 56 CO 0.29 0.27 -0.16 -0.76 0.00 0.00 0.00 174.94 174.59 2dmh s LEU 57 N -0.30 2.59 0.03 2.97 1.43 -0.69 -4.97 118.68 119.74 2dmh s LEU 57 Ca 0.05 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2dmh s LEU 57 Cb -0.05 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 2dmh s LEU 57 CO -0.00 -0.09 -0.04 -1.61 0.23 0.00 0.00 176.35 174.83 2dmh s GLU 58 N -3.58 0.41 -0.10 1.70 2.02 -1.26 -1.32 118.70 116.56 2dmh s GLU 58 Ca 0.28 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 2dmh s GLU 58 Cb -0.02 0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.25 2dmh s GLU 58 CO 0.13 -0.03 0.06 -0.06 0.02 0.00 0.00 175.26 175.38 2dmh s PHE 59 N -1.71 0.26 -0.02 1.61 0.40 -0.98 -4.98 117.98 112.57 2dmh s PHE 59 Ca -0.12 -0.08 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 2dmh s PHE 59 Cb -0.08 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 2dmh s PHE 59 CO -0.01 -0.35 1.47 0.34 0.70 0.00 0.00 175.22 177.36 2dmh s ASP 60 N 2.11 6.80 0.02 1.36 2.15 -1.26 -2.37 116.67 125.47 2dmh s ASP 60 Ca 0.03 2.13 0.20 0.00 0.43 0.00 0.00 52.55 55.34 2dmh s ASP 60 Cb -0.14 -2.55 -0.19 0.00 -0.30 0.00 0.00 42.92 39.74 2dmh s ASP 60 CO -0.06 -0.79 0.63 0.18 -0.17 0.00 0.00 175.17 174.97 2dmh n LEU 61 N 5.94 0.44 -2.58 -1.34 4.77 -0.17 -5.00 117.00 119.07 2dmh n LEU 61 Ca 0.14 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 2dmh n LEU 61 Cb 0.43 0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2dmh n LEU 61 CO 0.59 0.09 0.11 0.54 -1.33 0.00 0.00 177.39 177.40 2dmh n ARG 62 N -2.63 -4.79 -1.00 3.23 1.74 -0.50 -2.46 116.66 110.26 2dmh n ARG 62 Ca -0.10 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2dmh n ARG 62 Cb 0.75 -4.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.46 2dmh n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dmh n GLY 63 N -1.28 0.36 3.44 -0.13 0.00 0.65 -4.85 105.19 103.38 2dmh n GLY 63 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.73 5.04 1.06 -0.61 -1.09 -1.03 -4.83 121.20 118.02 2dmh s ILE 64 Ca 0.00 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 2dmh s ILE 64 Cb 0.00 -4.18 0.22 0.00 -1.58 0.00 0.00 42.46 36.92 2dmh s ILE 64 CO 0.00 -0.64 1.10 -2.16 -1.23 0.00 0.00 174.94 172.01 2dmh s PRO 65 N 2.20 -0.05 0.24 2.79 0.04 -1.26 -4.80 135.00 134.15 2dmh s PRO 65 Ca 0.11 0.35 -0.06 0.00 0.04 0.00 0.00 61.00 61.44 2dmh s PRO 65 Cb -0.20 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 2dmh s PRO 65 CO 0.11 -3.02 0.50 -0.51 0.04 0.00 0.00 177.00 174.12 2dmh s LEU 66 N -6.60 4.14 0.00 -3.56 1.43 -1.26 -5.11 118.68 107.72 2dmh s LEU 66 Ca 0.67 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2dmh s LEU 66 Cb -0.17 -3.50 -0.00 0.00 0.03 0.00 0.00 46.19 42.55 2dmh s LEU 66 CO 0.57 -0.10 0.04 0.47 0.23 0.00 0.00 176.35 177.57 2dmh n ASP 67 N -0.49 1.89 0.00 2.29 8.00 -1.26 -4.68 116.55 122.31 2dmh n ASP 67 Ca -0.01 -2.25 0.02 0.00 0.71 0.00 0.00 54.79 53.26 2dmh n ASP 67 Cb 0.53 0.41 0.13 0.00 -0.02 0.00 0.00 41.12 42.17 2dmh n ASP 67 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2dmh n PHE 68 N -0.61 0.00 -0.05 1.24 3.01 -1.26 -2.65 117.46 117.13 2dmh n PHE 68 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2dmh n PHE 68 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 2dmh n PHE 68 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2dmh n SER 69 N -0.57 1.44 -4.88 4.37 2.88 -1.26 -4.81 113.62 110.80 2dmh n SER 69 Ca 0.03 -1.49 -0.37 0.00 -1.33 0.00 0.00 58.87 55.72 2dmh n SER 69 Cb 0.02 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 2dmh n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmh s SER 70 N -0.49 6.37 0.22 -3.46 0.01 -1.09 -5.06 113.70 110.20 2dmh s SER 70 Ca 0.00 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.58 2dmh s SER 70 Cb 0.00 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2dmh s SER 70 CO 0.00 0.40 0.47 -0.94 0.41 0.00 0.00 173.24 173.58 2dmh s SER 71 N -1.09 -0.13 0.07 2.44 1.04 -1.26 -1.82 113.70 112.95 2dmh s SER 71 Ca 0.16 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.86 2dmh s SER 71 Cb -0.12 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2dmh s SER 71 CO 0.05 -1.09 0.00 -0.22 0.98 0.00 0.00 173.24 172.97 2dmh s LEU 72 N -2.96 3.49 -0.21 2.42 2.96 0.76 -4.88 118.68 120.26 2dmh s LEU 72 Ca 0.17 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2dmh s LEU 72 Cb -0.00 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2dmh s LEU 72 CO 0.04 0.20 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.32 2dmh s GLY 73 N -2.15 1.52 -0.31 7.98 0.00 -1.22 -0.97 107.32 112.18 2dmh s GLY 73 Ca 0.25 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 2dmh s GLY 73 CO 0.17 0.39 0.01 -0.42 0.00 0.00 0.00 173.10 173.25 2dmh s ILE 74 N 1.35 2.88 -0.21 0.90 -1.09 0.11 -2.49 121.20 122.65 2dmh s ILE 74 Ca 0.04 -1.54 -0.04 0.00 -2.23 0.00 0.00 60.65 56.88 2dmh s ILE 74 Cb -0.14 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 2dmh s ILE 74 CO -0.08 -0.19 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.77 2dmh s ILE 75 N 1.20 3.39 -0.40 2.92 1.01 -1.09 0.02 121.20 128.24 2dmh s ILE 75 Ca -0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 2dmh s ILE 75 Cb -0.20 -2.53 0.06 0.00 0.01 0.00 0.00 42.46 39.79 2dmh s ILE 75 CO -0.02 0.43 0.24 -0.69 0.00 0.00 0.00 174.94 174.90 2dmh s VAL 76 N 1.36 4.43 0.29 2.92 1.01 0.30 -2.55 120.40 128.16 2dmh s VAL 76 Ca 0.04 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2dmh s VAL 76 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2dmh s VAL 76 CO -0.02 -0.39 0.10 -0.54 0.00 0.00 0.00 175.10 174.25 2dmh s LYS 77 N 1.49 1.52 -0.03 2.72 1.02 -1.20 -2.36 119.74 122.91 2dmh s LYS 77 Ca 0.02 -1.84 -0.20 0.00 0.02 0.00 0.00 55.97 53.97 2dmh s LYS 77 Cb -0.21 -0.40 -0.05 0.00 -0.52 0.00 0.00 37.83 36.65 2dmh s LYS 77 CO 0.04 -0.30 0.58 -0.51 -0.92 0.00 0.00 175.35 174.24 2dmh s ASP 78 N -3.38 6.92 0.13 2.83 1.01 -1.26 -2.57 116.67 120.35 2dmh s ASP 78 Ca 0.36 1.09 -0.22 0.00 0.71 0.00 0.00 52.55 54.49 2dmh s ASP 78 Cb 0.07 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 2dmh s ASP 78 CO 0.15 0.07 1.67 0.15 0.21 0.00 0.00 175.17 177.42 2dmh h PHE 79 N 5.89 -0.36 -0.79 4.23 3.57 -1.80 -2.46 116.94 125.21 2dmh h PHE 79 Ca -0.44 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.24 2dmh h PHE 79 Cb 1.20 0.18 -0.15 0.00 2.79 0.00 0.00 35.95 39.96 2dmh h PHE 79 CO 0.65 -0.21 -0.19 0.39 -2.23 0.00 0.00 178.31 176.73 2dmh n GLU 80 N -5.29 -0.07 -3.50 1.11 1.02 -1.26 -3.17 120.64 109.48 2dmh n GLU 80 Ca -0.03 1.24 -0.42 0.00 -0.02 0.00 0.00 57.16 57.92 2dmh n GLU 80 Cb 0.20 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 2dmh n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dmh s THR 81 N -5.98 4.51 -0.13 2.62 -4.23 -0.92 -4.93 115.64 106.57 2dmh s THR 81 Ca -0.12 -1.58 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 2dmh s THR 81 Cb 0.22 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 2dmh s THR 81 CO 0.62 -0.72 -0.14 0.40 -0.54 0.00 0.00 174.62 174.24 2dmh h ILE 82 N 6.04 0.00 -1.84 2.99 5.03 -1.72 -3.41 117.51 124.60 2dmh h ILE 82 Ca -0.24 -0.95 -0.70 0.00 -0.12 0.00 0.00 64.86 62.85 2dmh h ILE 82 Cb 1.08 0.00 -0.33 0.00 -3.03 0.00 0.00 36.82 34.54 2dmh h ILE 82 CO 0.88 0.00 0.30 0.61 -0.68 0.00 0.00 178.15 179.26 2dmh n GLY 83 N 1.65 5.75 3.67 5.37 0.00 -1.26 -5.01 105.19 115.37 2dmh n GLY 83 Ca -0.06 -2.61 -0.26 0.00 0.00 0.00 0.00 46.02 43.09 2dmh n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmh s GLN 84 N -3.86 2.08 -0.07 1.61 0.74 -1.26 -5.01 119.66 113.89 2dmh s GLN 84 Ca 0.50 -1.97 -0.02 0.00 0.05 0.00 0.00 55.36 53.92 2dmh s GLN 84 Cb 0.41 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.67 2dmh s GLN 84 CO -0.30 -0.07 2.47 -1.71 -0.55 0.00 0.00 175.29 175.12 2dmh n ASN 85 N -1.09 5.53 -4.21 6.67 5.15 -1.26 -4.82 115.26 121.23 2dmh n ASN 85 Ca -0.03 -2.56 -0.29 0.00 -0.60 0.00 0.00 54.58 51.10 2dmh n ASN 85 Cb 0.66 -1.20 -0.16 0.00 -0.53 0.00 0.00 39.78 38.54 2dmh n ASN 85 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2dmh s LYS 86 N -0.07 2.24 -0.14 1.20 1.02 -1.26 -5.13 119.74 117.61 2dmh s LYS 86 Ca 0.25 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 2dmh s LYS 86 Cb 0.13 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.58 2dmh s LYS 86 CO -0.01 0.32 0.34 -1.17 -0.92 0.00 0.00 175.35 173.90 2dmh s LEU 87 N -0.07 0.32 -0.18 3.17 0.20 -1.26 -4.88 118.68 115.99 2dmh s LEU 87 Ca -0.04 0.71 -0.20 0.00 0.69 0.00 0.00 54.13 55.29 2dmh s LEU 87 Cb -0.13 1.10 -0.17 0.00 -0.43 0.00 0.00 46.19 46.56 2dmh s LEU 87 CO 0.03 -0.16 0.24 0.40 -0.29 0.00 0.00 176.35 176.57 2dmh h ILE 88 N 5.34 0.87 0.00 6.68 2.04 -1.94 -3.45 117.51 127.06 2dmh h ILE 88 Ca -0.35 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2dmh h ILE 88 Cb 1.18 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2dmh h ILE 88 CO 0.32 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.37 2dmh n GLY 89 N 1.51 0.84 3.30 5.37 0.00 -0.99 -4.46 105.19 110.76 2dmh n GLY 89 Ca -0.23 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 2dmh n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmh s THR 90 N -2.00 0.63 -0.27 2.61 -4.23 0.19 -0.54 115.64 112.03 2dmh s THR 90 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2dmh s THR 90 Cb 0.00 -2.47 0.08 0.00 1.34 0.00 0.00 72.50 71.45 2dmh s THR 90 CO 0.00 -0.16 0.76 0.00 -0.54 0.00 0.00 174.62 174.68 2dmh s ALA 91 N -3.70 -1.83 -0.20 3.99 0.00 0.10 -0.24 121.76 119.88 2dmh s ALA 91 Ca 0.33 2.07 -0.00 0.00 0.00 0.00 0.00 51.96 54.36 2dmh s ALA 91 Cb 0.07 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2dmh s ALA 91 CO 0.11 -0.33 -0.15 0.99 0.00 0.00 0.00 175.76 176.37 2dmh s THR 92 N 0.57 2.39 0.06 0.00 2.01 -1.26 0.04 115.64 119.45 2dmh s THR 92 Ca -0.01 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 2dmh s THR 92 Cb -0.05 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 2dmh s THR 92 CO -0.03 0.45 0.45 -0.69 -0.69 0.00 0.00 174.62 174.11 2dmh s VAL 93 N 1.32 4.99 -0.29 3.82 1.01 -0.14 -4.92 120.40 126.18 2dmh s VAL 93 Ca 0.04 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 2dmh s VAL 93 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2dmh s VAL 93 CO -0.10 0.42 0.50 0.00 0.00 0.00 0.00 175.10 175.92 2dmh s ALA 94 N -1.25 3.55 -1.06 5.51 0.00 -1.26 -0.17 121.76 127.07 2dmh s ALA 94 Ca 0.30 -0.77 0.27 0.00 0.00 0.00 0.00 51.96 51.76 2dmh s ALA 94 Cb -0.16 -2.91 0.85 0.00 0.00 0.00 0.00 23.12 20.90 2dmh s ALA 94 CO 0.16 -0.90 1.65 1.28 0.00 0.00 0.00 175.76 177.96 2dmh n LEU 95 N 5.60 0.31 0.31 0.00 4.77 -0.75 -3.74 117.00 123.49 2dmh n LEU 95 Ca -0.05 0.19 0.18 0.00 -0.03 0.00 0.00 56.01 56.31 2dmh n LEU 95 Cb 0.50 -0.34 1.02 0.00 -2.33 0.00 0.00 43.42 42.26 2dmh n LEU 95 CO 0.42 0.07 1.15 0.07 -1.33 0.00 0.00 177.39 177.77 2dmh h LYS 96 N 0.06 0.00 0.00 3.23 2.10 -1.66 0.13 116.57 120.43 2dmh h LYS 96 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dmh h LYS 96 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2dmh h LYS 96 CO 0.00 0.00 -0.23 -0.44 -2.00 0.00 0.00 179.45 176.78 2dmh h ASP 97 N 0.00 0.00 0.58 7.07 3.32 -1.90 -3.25 116.42 122.24 2dmh h ASP 97 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dmh h ASP 97 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2dmh h ASP 97 CO -0.00 0.00 -1.39 0.18 -1.72 0.00 0.00 179.24 176.31 2dmh n LEU 98 N -2.90 0.51 -4.50 1.55 4.77 0.36 -4.96 117.00 111.82 2dmh n LEU 98 Ca 0.03 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 2dmh n LEU 98 Cb 0.52 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 2dmh n LEU 98 CO 0.35 -0.10 0.19 0.35 -1.33 0.00 0.00 177.39 176.84 2dmh n THR 99 N -2.48 2.55 0.00 -5.08 -2.24 -0.53 -4.54 114.28 101.96 2dmh n THR 99 Ca -0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2dmh n THR 99 Cb 0.55 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.65 1.92 0.50 3.38 0.00 -1.26 -4.93 105.19 106.45 2dmh n GLY 100 Ca 0.12 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.88 2dmh n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dmh n ASP 101 N 0.00 1.46 -3.76 1.61 8.00 -1.26 -4.71 116.55 117.89 2dmh n ASP 101 Ca 0.00 -1.85 -0.16 0.00 0.71 0.00 0.00 54.79 53.49 2dmh n ASP 101 Cb 0.00 -0.15 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 2dmh n ASP 101 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dmh s GLN 102 N -1.71 -0.01 0.23 -1.24 -0.21 -1.26 -4.88 119.66 110.59 2dmh s GLN 102 Ca 0.25 0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.55 2dmh s GLN 102 Cb 0.13 -0.31 -0.16 0.00 1.00 0.00 0.00 33.01 33.66 2dmh s GLN 102 CO 0.18 -0.19 0.59 0.45 -2.12 0.00 0.00 175.29 174.21 2dmh n SER 103 N 4.33 -0.84 -3.68 5.90 2.88 -1.26 -4.86 113.62 116.09 2dmh n SER 103 Ca -0.25 1.12 -0.16 0.00 -1.33 0.00 0.00 58.87 58.26 2dmh n SER 103 Cb 0.50 -1.01 -0.15 0.00 -0.75 0.00 0.00 64.21 62.80 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 -1.12 0.06 -0.32 -1.46 3.52 -0.72 -5.00 118.95 113.92 2dmh s ARG 104 Ca 0.63 0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 56.80 2dmh s ARG 104 Cb -0.87 -0.22 0.07 0.00 -1.56 0.00 0.00 34.95 32.38 2dmh s ARG 104 CO 0.57 -0.28 0.03 -1.54 -0.81 0.00 0.00 175.30 173.27 2dmh s SER 105 N 2.17 4.87 -0.24 -2.12 1.04 -1.26 -1.90 113.70 116.26 2dmh s SER 105 Ca 0.01 -1.63 -0.07 0.00 0.48 0.00 0.00 55.95 54.75 2dmh s SER 105 Cb -0.12 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 2dmh s SER 105 CO -0.06 -0.33 0.06 -0.76 0.98 0.00 0.00 173.24 173.12 2dmh s LEU 106 N 1.13 3.42 -0.47 2.42 1.43 -1.11 -4.99 118.68 120.50 2dmh s LEU 106 Ca 0.00 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2dmh s LEU 106 Cb -0.20 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 2dmh s LEU 106 CO -0.04 -0.01 1.78 -2.16 0.23 0.00 0.00 176.35 176.15 2dmh s PRO 107 N 1.49 3.03 -0.62 1.29 0.04 -1.26 -3.78 135.00 135.19 2dmh s PRO 107 Ca 0.06 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 2dmh s PRO 107 Cb -0.15 -4.27 0.08 0.00 0.04 0.00 0.00 34.50 30.21 2dmh s PRO 107 CO 0.03 -2.24 0.83 0.71 0.04 0.00 0.00 177.00 176.38 2dmh s TYR 108 N 7.74 2.84 0.35 0.56 2.02 0.63 -4.99 117.35 126.49 2dmh s TYR 108 Ca 0.71 -0.69 0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2dmh s TYR 108 Cb -0.17 -4.11 -0.07 0.00 -0.40 0.00 0.00 41.96 37.21 2dmh s TYR 108 CO 0.27 -1.45 -0.01 0.15 -1.57 0.00 0.00 175.55 172.95 2dmh s LYS 109 N 3.40 1.76 -1.32 -0.62 1.02 -1.26 -0.20 119.74 122.51 2dmh s LYS 109 Ca 0.18 -1.95 -0.07 0.00 0.02 0.00 0.00 55.97 54.14 2dmh s LYS 109 Cb -0.20 -1.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.80 2dmh s LYS 109 CO 0.09 -0.04 0.95 1.28 -0.92 0.00 0.00 175.35 176.71 2dmh n LEU 110 N -0.77 -3.10 -4.66 3.17 4.77 -1.22 -4.94 117.00 110.24 2dmh n LEU 110 Ca -0.04 -0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 2dmh n LEU 110 Cb 0.66 -2.85 -0.02 0.00 -2.33 0.00 0.00 43.42 38.87 2dmh n LEU 110 CO 0.44 0.50 0.86 -0.63 -1.33 0.00 0.00 177.39 177.23 2dmh s ILE 111 N -3.25 4.72 -0.48 -0.08 1.01 -1.20 -4.91 121.20 117.01 2dmh s ILE 111 Ca 0.47 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.77 2dmh s ILE 111 Cb -0.21 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.02 2dmh s ILE 111 CO 0.58 -0.15 1.14 -0.44 0.00 0.00 0.00 174.94 176.08 2dmh s SER 112 N 1.22 6.63 0.22 3.58 0.01 -1.26 -3.37 113.70 120.73 2dmh s SER 112 Ca 0.42 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.86 2dmh s SER 112 Cb -0.15 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 2dmh s SER 112 CO 0.07 -1.26 1.09 -0.76 0.41 0.00 0.00 173.24 172.79 2dmh s LEU 113 N 4.48 4.52 -0.03 2.44 1.43 -0.79 -4.83 118.68 125.90 2dmh s LEU 113 Ca 0.48 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 2dmh s LEU 113 Cb -0.07 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2dmh s LEU 113 CO 0.32 -0.17 -0.23 -0.76 0.23 0.00 0.00 176.35 175.74 2dmh s LEU 114 N -0.84 2.19 0.00 1.79 1.43 0.66 -1.28 118.68 122.63 2dmh s LEU 114 Ca 0.47 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 2dmh s LEU 114 Cb -0.30 -1.39 0.28 0.00 0.03 0.00 0.00 46.19 44.81 2dmh s LEU 114 CO 0.37 0.31 0.98 -0.46 0.23 0.00 0.00 176.35 177.78 2dmh n ASN 115 N 2.50 -2.16 0.21 2.29 0.23 -1.06 0.56 115.26 117.84 2dmh n ASN 115 Ca -0.16 -1.09 0.11 0.00 -0.53 0.00 0.00 54.58 52.91 2dmh n ASN 115 Cb 0.51 -0.92 0.61 0.00 -2.08 0.00 0.00 39.78 37.91 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 -1.92 0.42 114.58 113.36 2dmh h GLU 116 Ca -0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.94 2dmh h GLU 116 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2dmh h GLU 116 CO 0.24 0.00 -1.51 1.63 0.07 0.00 0.00 179.01 179.44 2dmh n LYS 117 N -2.38 0.63 -0.11 1.06 4.76 -1.26 -4.98 118.16 115.89 2dmh n LYS 117 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2dmh n LYS 117 Cb 0.21 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 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 1.35 0.94 3.81 0.72 0.00 0.15 -5.08 105.19 107.08 2dmh n GLY 118 Ca -0.08 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.74 4.08 -0.37 1.61 -1.52 -1.26 -4.74 119.66 116.73 2dmh s GLN 119 Ca 0.00 0.55 -0.37 0.00 -1.95 0.00 0.00 55.36 53.59 2dmh s GLN 119 Cb 0.00 -3.25 -0.13 0.00 -0.22 0.00 0.00 33.01 29.41 2dmh s GLN 119 CO 0.00 0.61 2.16 -0.25 -0.25 0.00 0.00 175.29 177.56 2dmh n ASP 120 N 2.01 1.92 0.11 5.90 9.92 -1.26 -2.56 116.55 132.60 2dmh n ASP 120 Ca -0.12 0.49 -0.03 0.00 -0.53 0.00 0.00 54.79 54.60 2dmh n ASP 120 Cb 0.52 -1.20 0.08 0.00 -0.64 0.00 0.00 41.12 39.88 2dmh n ASP 120 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2dmh h THR 121 N 6.99 1.49 0.00 -3.53 1.35 -1.50 -3.48 112.91 114.23 2dmh h THR 121 Ca -0.25 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2dmh h THR 121 Cb 1.34 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 2dmh h THR 121 CO 1.03 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 177.62 2dmh n GLY 122 N 0.61 1.02 3.34 5.82 0.00 -1.26 -4.84 105.19 109.89 2dmh n GLY 122 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.31 0.04 4.61 0.00 -1.16 -4.53 121.76 121.03 2dmh s ALA 123 Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2dmh s ALA 123 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2dmh s ALA 123 CO 0.00 0.50 -0.23 0.95 0.00 0.00 0.00 175.76 176.97 2dmh s THR 124 N -0.48 1.90 0.04 0.00 -4.23 -0.13 -1.89 115.64 110.84 2dmh s THR 124 Ca 0.06 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2dmh s THR 124 Cb -0.11 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 2dmh s THR 124 CO 0.01 0.29 -0.07 -0.51 -0.54 0.00 0.00 174.62 173.80 2dmh s ILE 125 N -0.80 0.43 -0.23 2.99 2.07 -1.22 -0.80 121.20 123.64 2dmh s ILE 125 Ca 0.10 -1.04 -0.04 0.00 -1.41 0.00 0.00 60.65 58.25 2dmh s ILE 125 Cb -0.09 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 41.97 2dmh s ILE 125 CO 0.02 -0.42 -0.02 -1.81 -1.91 0.00 0.00 174.94 170.80 2dmh s ASP 126 N -1.56 4.44 -0.00 4.50 1.11 -0.85 -3.24 116.67 121.07 2dmh s ASP 126 Ca -0.11 -0.48 0.03 0.00 0.18 0.00 0.00 52.55 52.17 2dmh s ASP 126 Cb -0.10 -1.76 -0.01 0.00 1.07 0.00 0.00 42.92 42.13 2dmh s ASP 126 CO -0.00 -0.05 -0.09 -0.76 1.18 0.00 0.00 175.17 175.44 2dmh s LEU 127 N 1.47 2.04 -0.33 1.23 1.43 0.72 -2.21 118.68 123.03 2dmh s LEU 127 Ca 0.05 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2dmh s LEU 127 Cb -0.15 -0.46 0.09 0.00 0.03 0.00 0.00 46.19 45.70 2dmh s LEU 127 CO -0.02 0.09 0.04 -0.69 0.23 0.00 0.00 176.35 175.99 2dmh s VAL 128 N -0.32 2.45 -0.14 -1.59 1.01 -0.45 -0.27 120.40 121.10 2dmh s VAL 128 Ca 0.03 -2.10 -0.10 0.00 0.00 0.00 0.00 61.98 59.81 2dmh s VAL 128 Cb -0.04 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2dmh s VAL 128 CO -0.00 -0.47 0.20 -0.63 0.00 0.00 0.00 175.10 174.20 2dmh s ILE 129 N 1.00 5.38 -0.11 2.22 1.01 -1.25 -1.05 121.20 128.40 2dmh s ILE 129 Ca 0.05 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 2dmh s ILE 129 Cb -0.20 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2dmh s ILE 129 CO -0.06 0.52 -0.08 -0.83 0.00 0.00 0.00 174.94 174.48 2dmh s GLY 130 N -0.33 0.83 0.07 6.18 0.00 0.35 -2.77 107.32 111.65 2dmh s GLY 130 Ca 0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 2dmh s GLY 130 CO 0.03 0.76 0.38 -0.47 0.00 0.00 0.00 173.10 173.80 2dmh s TYR 131 N 1.64 3.58 -0.10 1.90 5.04 -0.80 -1.61 117.35 127.00 2dmh s TYR 131 Ca 0.04 0.74 -0.02 0.00 -2.44 0.00 0.00 57.07 55.39 2dmh s TYR 131 Cb -0.13 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.10 2dmh s TYR 131 CO -0.08 0.53 0.03 0.34 -1.34 0.00 0.00 175.55 175.04 2dmh s ASP 132 N -1.77 1.86 0.17 4.32 2.15 -1.19 -1.75 116.67 120.45 2dmh s ASP 132 Ca 0.32 -0.27 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 2dmh s ASP 132 Cb -0.14 -0.39 -0.08 0.00 -0.30 0.00 0.00 42.92 42.01 2dmh s ASP 132 CO 0.18 -0.25 1.32 -2.16 -0.17 0.00 0.00 175.17 174.09 2dmh s PRO 133 N 2.01 4.38 0.52 4.34 0.04 -1.26 -3.34 135.00 141.68 2dmh s PRO 133 Ca 0.03 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 2dmh s PRO 133 Cb -0.14 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 2dmh s PRO 133 CO -0.06 -0.29 1.14 -1.25 0.04 0.00 0.00 177.00 176.58 2dmh s PRO 134 N 0.25 3.46 -0.11 0.56 0.04 -1.26 -4.69 135.00 133.26 2dmh s PRO 134 Ca 0.59 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2dmh s PRO 134 Cb -0.36 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dmh s PRO 134 CO 0.36 -0.77 0.25 0.45 0.04 0.00 0.00 177.00 177.33 2dmh s SER 135 N -1.66 -0.27 0.03 6.66 0.15 -0.67 -4.91 113.70 113.02 2dmh s SER 135 Ca 0.70 0.54 -0.20 0.00 0.70 0.00 0.00 55.95 57.69 2dmh s SER 135 Cb -0.25 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 2dmh s SER 135 CO 0.29 -0.16 0.94 0.61 1.20 0.00 0.00 173.24 176.11 2dmh n GLY 136 N 4.19 0.44 0.20 9.45 0.00 -1.26 -4.12 105.19 114.10 2dmh n GLY 136 Ca -0.25 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 44.80 2dmh n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmh h PRO 137 N 0.00 0.00 -1.83 1.61 0.13 -2.01 -3.42 132.00 126.48 2dmh h PRO 137 Ca -0.18 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.98 2dmh h PRO 137 Cb 0.92 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.83 2dmh h PRO 137 CO 0.26 0.33 -0.24 -1.12 -0.23 0.00 0.00 178.00 176.99 2dmh s SER 138 N -6.50 -0.92 -0.51 1.44 0.01 -1.26 -5.12 113.70 100.85 2dmh s SER 138 Ca -0.01 1.17 -0.15 0.00 1.31 0.00 0.00 55.95 58.27 2dmh s SER 138 Cb 0.12 1.99 0.11 0.00 0.21 0.00 0.00 66.02 68.45 2dmh s SER 138 CO 0.68 -0.24 0.45 -0.44 0.41 0.00 0.00 173.24 174.09 2dmh s SER 139 N 2.80 6.11 0.00 2.44 0.01 -1.26 -5.12 113.70 118.68 2dmh s SER 139 Ca 0.03 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.64 2dmh s SER 139 Cb -0.13 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dmh s SER 139 CO -0.18 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.31