#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 0.84 -0.06 1.61 7.64 -1.26 -4.80 113.62 117.60 2dmh n SER 2 Ca 0.00 0.70 -0.07 0.00 1.01 0.00 0.00 58.87 60.51 2dmh n SER 2 Cb 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 2dmh n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dmh h SER 3 N 8.86 -0.39 -5.00 6.43 0.87 -2.10 -3.49 113.55 118.74 2dmh h SER 3 Ca -0.13 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dmh h SER 3 Cb 1.41 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2dmh h SER 3 CO 1.08 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.84 2dmh n GLY 4 N -1.28 0.92 3.57 5.77 0.00 -1.26 -4.93 105.19 107.97 2dmh n GLY 4 Ca -0.01 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 2dmh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmh s SER 5 N 0.00 6.28 -0.39 1.61 0.01 -1.26 -4.95 113.70 115.01 2dmh s SER 5 Ca 0.00 0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.33 2dmh s SER 5 Cb 0.00 -2.24 0.44 0.00 0.21 0.00 0.00 66.02 64.43 2dmh s SER 5 CO 0.00 -0.38 1.27 -1.20 0.41 0.00 0.00 173.24 173.34 2dmh n SER 6 N 5.57 5.19 -2.10 2.44 7.64 -1.26 -3.38 113.62 127.71 2dmh n SER 6 Ca -0.06 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.07 2dmh n SER 6 Cb 0.49 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.65 -5.32 2.91 0.23 0.00 -1.26 -1.08 105.19 100.01 2dmh n GLY 7 Ca 0.44 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.75 0.08 -0.36 1.61 -2.45 -1.24 -0.75 119.30 115.44 2dmh s MET 8 Ca 0.00 0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 54.72 2dmh s MET 8 Cb 0.00 -0.19 0.02 0.00 1.25 0.00 0.00 34.83 35.90 2dmh s MET 8 CO 0.00 -0.18 0.20 -1.17 1.05 0.00 0.00 175.02 174.92 2dmh s LEU 9 N 1.29 4.59 -0.14 4.11 2.96 -0.45 -3.50 118.68 127.53 2dmh s LEU 9 Ca -0.08 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 2dmh s LEU 9 Cb -0.12 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2dmh s LEU 9 CO -0.06 -0.34 0.29 -0.13 -1.32 0.00 0.00 176.35 174.79 2dmh s ARG 10 N 1.58 4.12 -0.36 1.98 0.52 -1.08 -0.92 118.95 124.79 2dmh s ARG 10 Ca 0.03 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 2dmh s ARG 10 Cb -0.19 -3.37 0.11 0.00 0.52 0.00 0.00 34.95 32.02 2dmh s ARG 10 CO 0.07 0.36 0.12 0.08 0.02 0.00 0.00 175.30 175.94 2dmh s VAL 11 N 0.11 1.55 0.15 3.52 1.01 -0.88 -1.34 120.40 124.52 2dmh s VAL 11 Ca 0.17 -2.05 -0.26 0.00 0.00 0.00 0.00 61.98 59.84 2dmh s VAL 11 Cb -0.13 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 2dmh s VAL 11 CO 0.05 -0.70 0.81 -0.63 0.00 0.00 0.00 175.10 174.63 2dmh s ILE 12 N 1.03 4.40 -0.40 2.22 1.01 -0.20 -1.69 121.20 127.58 2dmh s ILE 12 Ca 0.12 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.57 2dmh s ILE 12 Cb -0.20 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.21 2dmh s ILE 12 CO -0.13 0.47 0.13 -0.69 0.00 0.00 0.00 174.94 174.72 2dmh s VAL 13 N -0.85 2.58 0.00 2.92 1.01 -0.93 -1.19 120.40 123.95 2dmh s VAL 13 Ca 0.38 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.88 2dmh s VAL 13 Cb -0.23 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2dmh s VAL 13 CO 0.27 -0.66 0.71 -0.62 0.00 0.00 0.00 175.10 174.79 2dmh n GLU 14 N 4.09 0.00 -3.62 2.72 1.02 -1.18 0.03 120.64 123.70 2dmh n GLU 14 Ca 0.03 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.44 2dmh n GLU 14 Cb 0.40 -1.23 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 2dmh n GLU 14 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dmh s SER 15 N -2.01 -0.09 0.34 1.62 1.04 -1.26 -0.65 113.70 112.69 2dmh s SER 15 Ca 0.00 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.42 2dmh s SER 15 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2dmh s SER 15 CO 0.00 -0.31 0.02 0.00 0.98 0.00 0.00 173.24 173.93 2dmh s ALA 16 N -2.47 3.23 0.13 5.32 0.00 -0.77 -1.92 121.76 125.27 2dmh s ALA 16 Ca 0.12 -1.96 -0.22 0.00 0.00 0.00 0.00 51.96 49.90 2dmh s ALA 16 Cb 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2dmh s ALA 16 CO -0.04 0.06 0.56 -1.12 0.00 0.00 0.00 175.76 175.22 2dmh s SER 17 N -3.73 -0.49 -0.68 0.00 0.01 0.60 -3.60 113.70 105.81 2dmh s SER 17 Ca 0.35 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 2dmh s SER 17 Cb -0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2dmh s SER 17 CO 0.20 -0.89 0.59 0.59 0.41 0.00 0.00 173.24 174.13 2dmh n ASN 18 N -0.17 -3.69 -4.73 2.44 3.02 -1.26 -0.67 115.26 110.20 2dmh n ASN 18 Ca -0.17 -0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 53.69 2dmh n ASN 18 Cb 0.64 -2.87 -0.05 0.00 -0.61 0.00 0.00 39.78 36.89 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 -3.17 4.94 -0.57 2.41 1.01 -1.26 -2.97 121.20 121.59 2dmh s ILE 19 Ca 0.23 1.48 -0.27 0.00 0.00 0.00 0.00 60.65 62.09 2dmh s ILE 19 Cb -0.10 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2dmh s ILE 19 CO 0.38 0.30 1.84 -2.16 0.00 0.00 0.00 174.94 175.30 2dmh s PRO 20 N 0.44 2.75 1.28 2.79 0.04 -1.26 -4.92 135.00 136.11 2dmh s PRO 20 Ca 0.37 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 2dmh s PRO 20 Cb -0.19 -4.35 0.32 0.00 0.04 0.00 0.00 34.50 30.32 2dmh s PRO 20 CO 0.20 -2.58 1.00 -1.59 0.04 0.00 0.00 177.00 174.06 2dmh s LYS 21 N 6.80 -1.85 0.24 4.56 -2.85 -1.26 -4.92 119.74 120.46 2dmh s LYS 21 Ca 0.69 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 2dmh s LYS 21 Cb -0.14 -1.49 -0.00 0.00 -2.06 0.00 0.00 37.83 34.14 2dmh s LYS 21 CO 0.23 -4.21 0.01 0.25 0.10 0.00 0.00 175.35 171.73 2dmh n THR 22 N -5.18 0.00 -0.05 3.79 -2.24 -1.25 -4.99 114.28 104.37 2dmh n THR 22 Ca 0.09 -1.18 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 2dmh n THR 22 Cb 0.58 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 2dmh n THR 22 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2dmh h LYS 23 N 0.00 0.30 -1.10 -0.78 1.79 -2.01 -3.07 116.57 111.69 2dmh h LYS 23 Ca -0.20 -0.17 0.31 0.00 -2.18 0.00 0.00 60.65 58.41 2dmh h LYS 23 Cb 0.63 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.22 2dmh h LYS 23 CO 0.33 0.72 0.76 0.74 -1.08 0.00 0.00 179.45 180.92 2dmh h PHE 24 N -0.11 0.32 0.00 -1.35 -1.00 -2.05 -3.46 116.94 109.30 2dmh h PHE 24 Ca 0.02 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2dmh h PHE 24 Cb 0.68 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2dmh h PHE 24 CO 0.09 0.02 0.00 0.41 -1.61 0.00 0.00 178.31 177.22 2dmh n GLY 25 N -1.62 0.46 2.76 -1.45 0.00 -1.16 -5.07 105.19 99.10 2dmh n GLY 25 Ca 0.25 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 0.07 1.10 1.61 1.02 -1.26 -3.84 119.74 118.43 2dmh s LYS 26 Ca 0.00 0.34 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 2dmh s LYS 26 Cb 0.00 -0.82 0.24 0.00 -0.52 0.00 0.00 37.83 36.73 2dmh s LYS 26 CO 0.00 -0.46 1.10 -1.25 -0.92 0.00 0.00 175.35 173.82 2dmh s PRO 27 N 2.26 -0.39 -0.63 -1.68 0.04 -1.26 -4.25 135.00 129.09 2dmh s PRO 27 Ca 0.04 0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 2dmh s PRO 27 Cb -0.14 -1.67 0.16 0.00 0.04 0.00 0.00 34.50 32.90 2dmh s PRO 27 CO -0.08 -3.22 0.52 -0.51 0.04 0.00 0.00 177.00 173.75 2dmh s ASP 28 N -3.66 5.95 0.40 6.66 1.01 -1.26 -3.37 116.67 122.40 2dmh s ASP 28 Ca 0.68 -2.40 -0.25 0.00 0.71 0.00 0.00 52.55 51.28 2dmh s ASP 28 Cb -0.15 -2.05 -0.08 0.00 1.01 0.00 0.00 42.92 41.65 2dmh s ASP 28 CO 0.57 -0.58 1.19 -2.16 0.21 0.00 0.00 175.17 174.39 2dmh s PRO 29 N 0.62 4.05 -0.21 8.23 0.04 -1.25 -0.34 135.00 146.15 2dmh s PRO 29 Ca 0.12 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2dmh s PRO 29 Cb -0.20 -2.70 0.08 0.00 0.04 0.00 0.00 34.50 31.72 2dmh s PRO 29 CO -0.04 -0.33 0.48 -1.50 0.04 0.00 0.00 177.00 175.65 2dmh s ILE 30 N -1.38 -0.35 0.10 0.56 2.07 -1.17 -2.93 121.20 118.09 2dmh s ILE 30 Ca 0.57 0.10 -0.29 0.00 -1.41 0.00 0.00 60.65 59.62 2dmh s ILE 30 Cb -0.32 -0.72 -0.06 0.00 0.13 0.00 0.00 42.46 41.49 2dmh s ILE 30 CO 0.40 0.04 0.92 -0.69 -1.91 0.00 0.00 174.94 173.70 2dmh s VAL 31 N 2.03 4.54 -0.07 4.00 1.01 -1.26 -3.55 120.40 127.10 2dmh s VAL 31 Ca -0.06 1.98 0.05 0.00 0.00 0.00 0.00 61.98 63.95 2dmh s VAL 31 Cb -0.10 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2dmh s VAL 31 CO -0.14 0.33 -0.23 -0.94 0.00 0.00 0.00 175.10 174.11 2dmh s SER 32 N -0.03 2.90 -0.13 3.32 1.04 -0.29 -1.93 113.70 118.59 2dmh s SER 32 Ca 0.45 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2dmh s SER 32 Cb -0.23 -1.00 0.01 0.00 0.10 0.00 0.00 66.02 64.91 2dmh s SER 32 CO 0.28 0.20 -0.17 -0.69 0.98 0.00 0.00 173.24 173.84 2dmh s VAL 33 N 0.07 1.69 -0.13 5.02 1.01 0.17 -2.78 120.40 125.44 2dmh s VAL 33 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2dmh s VAL 33 Cb -0.15 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2dmh s VAL 33 CO 0.05 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 2dmh s ILE 34 N 1.04 1.66 -0.20 2.22 1.09 -1.23 -0.05 121.20 125.72 2dmh s ILE 34 Ca -0.04 -0.72 -0.16 0.00 -1.10 0.00 0.00 60.65 58.63 2dmh s ILE 34 Cb -0.15 -1.51 0.06 0.00 -1.06 0.00 0.00 42.46 39.80 2dmh s ILE 34 CO -0.04 0.47 0.52 0.12 -0.10 0.00 0.00 174.94 175.92 2dmh s PHE 35 N 1.10 -0.65 -1.40 3.97 5.36 -0.67 -3.76 117.98 121.92 2dmh s PHE 35 Ca -0.03 1.48 -0.03 0.00 -0.96 0.00 0.00 56.93 57.39 2dmh s PHE 35 Cb -0.14 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.82 2dmh s PHE 35 CO -0.05 -0.32 0.59 1.63 -1.46 0.00 0.00 175.22 175.61 2dmh n LYS 36 N 3.30 -4.05 -2.78 10.12 4.76 -1.26 -0.29 118.16 127.95 2dmh n LYS 36 Ca -0.16 0.49 -0.20 0.00 -2.87 0.00 0.00 58.31 55.57 2dmh n LYS 36 Cb 0.56 -4.88 0.01 0.00 -1.84 0.00 0.00 35.03 28.88 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 -2.98 -5.33 -3.96 4.39 9.92 -1.26 -4.96 116.55 112.38 2dmh n ASP 37 Ca -0.25 -0.13 -0.31 0.00 -0.53 0.00 0.00 54.79 53.57 2dmh n ASP 37 Cb 0.66 -4.39 -0.15 0.00 -0.64 0.00 0.00 41.12 36.59 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2dmh s GLU 38 N -5.43 1.72 -0.18 -1.24 2.56 0.60 -5.11 118.70 111.62 2dmh s GLU 38 Ca 0.17 -1.06 -0.18 0.00 0.00 0.00 0.00 54.97 53.90 2dmh s GLU 38 Cb -0.08 -2.64 -0.04 0.00 2.00 0.00 0.00 34.13 33.37 2dmh s GLU 38 CO 0.21 -0.60 0.49 0.21 -0.56 0.00 0.00 175.26 175.02 2dmh s LYS 39 N 1.34 4.22 -0.09 4.30 2.20 -1.26 -1.68 119.74 128.77 2dmh s LYS 39 Ca -0.06 0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 2dmh s LYS 39 Cb -0.19 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.65 2dmh s LYS 39 CO -0.06 -0.07 0.20 0.15 -0.36 0.00 0.00 175.35 175.21 2dmh s LYS 40 N 1.37 0.10 0.29 4.03 1.02 0.93 -5.00 119.74 122.47 2dmh s LYS 40 Ca 0.24 0.56 0.08 0.00 0.02 0.00 0.00 55.97 56.87 2dmh s LYS 40 Cb -0.15 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 36.93 2dmh s LYS 40 CO 0.09 -0.24 -0.10 -1.59 -0.92 0.00 0.00 175.35 172.59 2dmh s LYS 41 N 1.88 1.62 0.30 1.68 0.00 -1.26 0.43 119.74 124.38 2dmh s LYS 41 Ca -0.02 -1.80 -0.03 0.00 0.00 0.00 0.00 55.97 54.12 2dmh s LYS 41 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 37.83 36.28 2dmh s LYS 41 CO -0.07 0.12 0.53 0.95 0.00 0.00 0.00 175.35 176.89 2dmh s THR 42 N -2.83 5.07 -0.28 3.79 -4.23 -0.81 -4.99 115.64 111.37 2dmh s THR 42 Ca 0.30 -0.15 -0.37 0.00 -1.18 0.00 0.00 61.69 60.29 2dmh s THR 42 Cb 0.02 -3.77 -0.13 0.00 1.34 0.00 0.00 72.50 69.95 2dmh s THR 42 CO 0.13 -0.38 1.97 2.29 -0.54 0.00 0.00 174.62 178.09 2dmh n LYS 43 N -1.16 1.30 -1.56 3.99 2.85 -1.26 -4.61 118.16 117.71 2dmh n LYS 43 Ca -0.03 0.43 -0.38 0.00 -1.05 0.00 0.00 58.31 57.29 2dmh n LYS 43 Cb 0.55 -2.35 0.05 0.00 -0.65 0.00 0.00 35.03 32.62 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 6.87 0.75 -4.74 -1.58 -0.00 -1.26 -4.93 118.16 113.27 2dmh n LYS 44 Ca 0.33 0.29 -0.33 0.00 -0.00 0.00 0.00 58.31 58.59 2dmh n LYS 44 Cb 0.20 -1.99 -0.12 0.00 -0.00 0.00 0.00 35.03 33.12 2dmh n LYS 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dmh s VAL 45 N -1.59 3.39 1.36 0.58 1.01 -1.15 -5.06 120.40 118.94 2dmh s VAL 45 Ca 0.73 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2dmh s VAL 45 Cb -0.43 -2.37 0.35 0.00 0.00 0.00 0.00 36.38 33.93 2dmh s VAL 45 CO 0.50 0.59 0.97 -1.81 0.00 0.00 0.00 175.10 175.34 2dmh s ASP 46 N -0.65 -0.54 -0.79 3.32 1.11 -1.26 -3.92 116.67 113.94 2dmh s ASP 46 Ca 0.10 0.89 -0.24 0.00 0.18 0.00 0.00 52.55 53.47 2dmh s ASP 46 Cb -0.11 -1.27 -0.17 0.00 1.07 0.00 0.00 42.92 42.43 2dmh s ASP 46 CO 0.01 -5.05 2.12 -0.46 1.18 0.00 0.00 175.17 172.98 2dmh n ASN 47 N -5.42 0.21 -3.64 0.27 6.94 -1.26 -4.77 115.26 107.59 2dmh n ASN 47 Ca 0.12 0.14 -0.09 0.00 -0.02 0.00 0.00 54.58 54.72 2dmh n ASN 47 Cb 0.59 -0.72 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 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 7.08 0.62 -0.07 -3.83 2.56 -1.22 -4.98 118.70 118.86 2dmh s GLU 48 Ca 1.07 0.85 -0.24 0.00 0.00 0.00 0.00 54.97 56.66 2dmh s GLU 48 Cb -0.99 0.24 -0.30 0.00 2.00 0.00 0.00 34.13 35.08 2dmh s GLU 48 CO 0.39 -0.09 0.87 -0.07 -0.56 0.00 0.00 175.26 175.79 2dmh h LEU 49 N 5.35 0.34 -7.41 2.70 4.07 -1.87 -3.40 115.31 115.09 2dmh h LEU 49 Ca -0.29 -0.96 -0.73 0.00 0.08 0.00 0.00 57.88 55.98 2dmh h LEU 49 Cb 1.19 -0.11 -0.33 0.00 1.08 0.00 0.00 40.66 42.48 2dmh h LEU 49 CO 0.12 1.28 0.05 0.20 -1.08 0.00 0.00 178.44 179.01 2dmh s ASN 50 N -6.76 6.36 0.52 -0.43 0.01 -1.26 -4.03 114.94 109.35 2dmh s ASN 50 Ca -0.15 -3.63 -0.20 0.00 -0.71 0.00 0.00 52.86 48.17 2dmh s ASN 50 Cb -0.00 -2.00 -0.06 0.00 0.41 0.00 0.00 41.25 39.60 2dmh s ASN 50 CO 0.79 -0.23 1.14 -2.16 -1.51 0.00 0.00 177.10 175.13 2dmh s PRO 51 N -1.24 3.48 -0.28 -0.60 0.04 -1.24 -4.83 135.00 130.33 2dmh s PRO 51 Ca 0.28 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2dmh s PRO 51 Cb -0.09 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2dmh s PRO 51 CO -0.11 -0.76 0.02 0.08 0.04 0.00 0.00 177.00 176.28 2dmh s VAL 52 N -1.71 1.48 -0.19 -0.36 1.01 -1.26 -1.84 120.40 117.53 2dmh s VAL 52 Ca 0.70 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2dmh s VAL 52 Cb -0.25 -1.95 -0.21 0.00 0.00 0.00 0.00 36.38 33.98 2dmh s VAL 52 CO 0.29 -0.40 0.15 0.79 0.00 0.00 0.00 175.10 175.93 2dmh n TRP 53 N 4.63 0.86 -4.35 5.22 8.01 -1.13 -4.97 117.44 125.72 2dmh n TRP 53 Ca -0.05 0.27 -0.39 0.00 -1.31 0.00 0.00 57.50 56.02 2dmh n TRP 53 Cb 0.43 -1.10 -0.05 0.00 -2.01 0.00 0.00 31.31 28.58 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 -3.93 -2.59 -4.89 -0.99 0.23 0.10 -4.92 115.26 98.27 2dmh n ASN 54 Ca -0.37 -1.11 -0.19 0.00 -0.53 0.00 0.00 54.58 52.38 2dmh n ASN 54 Cb 0.88 -2.29 0.07 0.00 -2.08 0.00 0.00 39.78 36.35 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2dmh n GLU 55 N -4.27 0.61 -3.70 -3.83 -0.00 -1.03 -4.92 120.64 103.51 2dmh n GLU 55 Ca 0.08 -3.07 -0.24 0.00 -0.00 0.00 0.00 57.16 53.92 2dmh n GLU 55 Cb 0.48 -0.24 -0.17 0.00 -0.00 0.00 0.00 31.44 31.52 2dmh n GLU 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2dmh s ILE 56 N -2.54 0.19 0.36 3.84 1.01 -1.26 -2.18 121.20 120.63 2dmh s ILE 56 Ca 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 2dmh s ILE 56 Cb -0.05 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2dmh s ILE 56 CO 0.38 0.01 0.60 -0.76 0.00 0.00 0.00 174.94 175.17 2dmh s LEU 57 N 2.03 3.94 -0.09 2.97 1.43 -0.68 -4.95 118.68 123.33 2dmh s LEU 57 Ca 0.03 0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 53.70 2dmh s LEU 57 Cb -0.14 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.63 2dmh s LEU 57 CO -0.06 -0.34 0.21 -1.61 0.23 0.00 0.00 176.35 174.78 2dmh s GLU 58 N -4.25 0.18 0.01 1.70 2.02 -1.26 -2.08 118.70 115.02 2dmh s GLU 58 Ca 0.42 0.44 0.07 0.00 0.02 0.00 0.00 54.97 55.92 2dmh s GLU 58 Cb -0.10 -0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 2dmh s GLU 58 CO 0.37 -0.14 -0.21 -0.06 0.02 0.00 0.00 175.26 175.24 2dmh s PHE 59 N 1.01 1.86 -0.20 1.61 0.40 -0.10 -4.97 117.98 117.58 2dmh s PHE 59 Ca -0.07 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 2dmh s PHE 59 Cb -0.09 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 2dmh s PHE 59 CO -0.06 0.03 0.40 -0.51 0.70 0.00 0.00 175.22 175.78 2dmh s ASP 60 N -0.83 6.43 0.09 1.36 1.01 -1.26 -1.35 116.67 122.12 2dmh s ASP 60 Ca 0.08 0.51 0.18 0.00 0.71 0.00 0.00 52.55 54.03 2dmh s ASP 60 Cb -0.08 -2.23 -0.11 0.00 1.01 0.00 0.00 42.92 41.51 2dmh s ASP 60 CO 0.00 -0.08 0.86 0.18 0.21 0.00 0.00 175.17 176.35 2dmh n LEU 61 N 4.49 0.85 -2.18 1.23 4.77 0.08 -4.96 117.00 121.27 2dmh n LEU 61 Ca -0.08 0.37 -0.17 0.00 -0.03 0.00 0.00 56.01 56.09 2dmh n LEU 61 Cb 0.51 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2dmh n LEU 61 CO 0.40 0.08 -0.09 0.54 -1.33 0.00 0.00 177.39 176.98 2dmh n ARG 62 N -2.84 -2.77 0.00 3.23 5.12 -0.58 -1.81 116.66 117.00 2dmh n ARG 62 Ca -0.08 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 2dmh n ARG 62 Cb 0.78 -5.19 0.00 0.00 -1.16 0.00 0.00 32.46 26.89 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 -1.21 2.98 3.62 -0.13 0.00 -0.24 -4.99 105.19 105.21 2dmh n GLY 63 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.01 3.79 1.07 -0.61 -1.09 -0.75 -4.75 121.20 116.85 2dmh s ILE 64 Ca 0.00 0.86 -0.18 0.00 -2.23 0.00 0.00 60.65 59.10 2dmh s ILE 64 Cb 0.00 -3.91 0.27 0.00 -1.58 0.00 0.00 42.46 37.24 2dmh s ILE 64 CO 0.00 -0.47 0.95 -0.81 -1.23 0.00 0.00 174.94 173.38 2dmh n PRO 65 N 7.85 -2.88 -2.95 2.79 -0.04 -1.26 -4.80 135.00 133.71 2dmh n PRO 65 Ca 0.18 -1.52 -0.19 0.00 -0.04 0.00 0.00 63.50 61.93 2dmh n PRO 65 Cb 0.46 -1.43 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2dmh n PRO 65 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dmh s LEU 66 N 0.00 3.39 0.11 1.53 1.43 -1.26 -5.10 118.68 118.78 2dmh s LEU 66 Ca 0.62 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2dmh s LEU 66 Cb -0.06 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2dmh s LEU 66 CO 0.47 -1.07 0.29 1.51 0.23 0.00 0.00 176.35 177.79 2dmh s ASP 67 N -4.49 -0.04 0.66 2.29 -4.77 -1.26 -4.91 116.67 104.15 2dmh s ASP 67 Ca 0.58 -0.53 0.18 0.00 -3.30 0.00 0.00 52.55 49.48 2dmh s ASP 67 Cb -0.08 0.41 0.96 0.00 -1.09 0.00 0.00 42.92 43.11 2dmh s ASP 67 CO 0.36 -0.80 1.54 -0.26 0.70 0.00 0.00 175.17 176.71 2dmh h PHE 68 N 2.56 0.00 0.14 2.11 0.04 -1.93 0.89 116.94 120.76 2dmh h PHE 68 Ca -0.34 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.13 2dmh h PHE 68 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2dmh h PHE 68 CO 0.38 0.00 -1.46 0.77 -0.60 0.00 0.00 178.31 177.41 2dmh h SER 69 N 0.00 0.46 -1.24 2.17 0.02 -1.97 -3.41 113.55 109.58 2dmh h SER 69 Ca 0.02 -0.57 -0.65 0.00 -0.84 0.00 0.00 61.79 59.75 2dmh h SER 69 Cb 1.26 -0.15 0.13 0.00 0.14 0.00 0.00 62.40 63.78 2dmh h SER 69 CO -0.00 1.46 -0.68 -1.54 -1.14 0.00 0.00 176.83 174.94 2dmh n SER 70 N -3.51 -1.83 -3.54 3.07 3.41 0.31 -4.89 113.62 106.64 2dmh n SER 70 Ca -0.15 1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 59.38 2dmh n SER 70 Cb 1.05 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2dmh n SER 70 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmh s SER 71 N -0.99 -0.36 0.03 4.04 1.04 -1.26 -2.69 113.70 113.51 2dmh s SER 71 Ca 0.62 0.20 0.05 0.00 0.48 0.00 0.00 55.95 57.29 2dmh s SER 71 Cb -0.82 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 2dmh s SER 71 CO 0.58 -0.46 -0.10 -0.22 0.98 0.00 0.00 173.24 174.02 2dmh s LEU 72 N -1.81 3.02 -0.33 2.42 2.96 0.36 -4.90 118.68 120.41 2dmh s LEU 72 Ca 0.02 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 2dmh s LEU 72 Cb -0.01 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.96 2dmh s LEU 72 CO -0.03 0.26 0.10 -0.83 -1.32 0.00 0.00 176.35 174.53 2dmh s GLY 73 N -1.53 1.83 -0.44 7.98 0.00 -1.25 -0.91 107.32 113.01 2dmh s GLY 73 Ca 0.17 -1.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.10 2dmh s GLY 73 CO 0.08 0.74 0.33 -0.42 0.00 0.00 0.00 173.10 173.83 2dmh s ILE 74 N 1.44 5.09 -0.06 0.90 -1.09 0.52 -3.58 121.20 124.43 2dmh s ILE 74 Ca -0.00 -0.94 0.05 0.00 -2.23 0.00 0.00 60.65 57.53 2dmh s ILE 74 Cb -0.19 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2dmh s ILE 74 CO 0.03 -0.45 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.44 2dmh s ILE 75 N 1.63 2.32 -0.23 2.92 1.01 -1.12 0.09 121.20 127.82 2dmh s ILE 75 Ca 0.04 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2dmh s ILE 75 Cb -0.22 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2dmh s ILE 75 CO 0.07 0.57 -0.05 -0.69 0.00 0.00 0.00 174.94 174.84 2dmh s VAL 76 N -0.23 1.49 0.39 2.92 1.01 -0.68 -1.14 120.40 124.16 2dmh s VAL 76 Ca -0.01 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 60.82 2dmh s VAL 76 Cb -0.13 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 2dmh s VAL 76 CO 0.03 -0.11 0.03 -0.54 0.00 0.00 0.00 175.10 174.51 2dmh s LYS 77 N 1.41 1.87 -0.28 2.72 1.02 -1.23 -2.71 119.74 122.54 2dmh s LYS 77 Ca -0.06 -2.07 -0.25 0.00 0.02 0.00 0.00 55.97 53.61 2dmh s LYS 77 Cb -0.19 -1.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 2dmh s LYS 77 CO -0.06 -0.16 0.87 0.34 -0.92 0.00 0.00 175.35 175.42 2dmh s ASP 78 N -3.64 6.81 0.15 2.83 -1.08 -1.26 -3.06 116.67 117.43 2dmh s ASP 78 Ca 0.32 0.93 -0.22 0.00 -0.52 0.00 0.00 52.55 53.07 2dmh s ASP 78 Cb 0.08 -2.45 0.04 0.00 -1.46 0.00 0.00 42.92 39.13 2dmh s ASP 78 CO 0.15 -0.62 1.63 0.15 0.52 0.00 0.00 175.17 177.00 2dmh h PHE 79 N 7.88 -0.59 -1.04 -5.34 3.57 -1.02 0.10 116.94 120.51 2dmh h PHE 79 Ca -0.23 0.04 0.30 0.00 3.53 0.00 0.00 57.97 61.61 2dmh h PHE 79 Cb 1.09 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2dmh h PHE 79 CO 0.77 -0.30 1.14 0.93 -2.23 0.00 0.00 178.31 178.62 2dmh h GLU 80 N -0.21 0.00 -4.82 1.11 5.08 -1.93 -3.28 114.58 110.54 2dmh h GLU 80 Ca 0.15 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.83 2dmh h GLU 80 Cb 0.44 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.36 2dmh h GLU 80 CO -0.40 0.00 -0.72 0.95 -1.00 0.00 0.00 179.01 177.83 2dmh s THR 81 N -4.50 2.88 -0.26 1.13 -4.23 0.36 -5.09 115.64 105.94 2dmh s THR 81 Ca -0.03 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 59.12 2dmh s THR 81 Cb 0.15 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2dmh s THR 81 CO 0.52 -0.00 0.07 -0.63 -0.54 0.00 0.00 174.62 174.03 2dmh s ILE 82 N 1.26 4.19 -0.65 2.99 1.09 -1.24 -4.58 121.20 124.26 2dmh s ILE 82 Ca -0.04 -0.29 -0.01 0.00 -1.10 0.00 0.00 60.65 59.20 2dmh s ILE 82 Cb -0.19 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.20 2dmh s ILE 82 CO -0.02 0.29 0.60 0.61 -0.10 0.00 0.00 174.94 176.32 2dmh n GLY 83 N 4.91 -0.93 3.21 6.18 0.00 -1.26 -5.06 105.19 112.24 2dmh n GLY 83 Ca -0.16 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 2dmh n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmh n GLN 84 N -2.00 0.58 -0.40 1.61 6.02 -1.26 -5.03 117.38 116.90 2dmh n GLN 84 Ca -0.02 -2.90 -0.07 0.00 -0.01 0.00 0.00 57.00 54.00 2dmh n GLN 84 Cb 0.53 2.63 0.04 0.00 1.02 0.00 0.00 30.24 34.46 2dmh n GLN 84 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2dmh n ASN 85 N -1.67 3.67 -4.31 1.08 0.23 -1.26 -4.77 115.26 108.23 2dmh n ASN 85 Ca 0.03 -2.50 -0.42 0.00 -0.53 0.00 0.00 54.58 51.16 2dmh n ASN 85 Cb 0.57 -0.68 -0.08 0.00 -2.08 0.00 0.00 39.78 37.51 2dmh n ASN 85 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2dmh s LYS 86 N -0.92 2.76 -0.13 -3.83 2.47 -1.26 -5.05 119.74 113.77 2dmh s LYS 86 Ca 0.16 -1.49 0.02 0.00 -1.56 0.00 0.00 55.97 53.10 2dmh s LYS 86 Cb 0.13 -3.97 0.01 0.00 -1.46 0.00 0.00 37.83 32.54 2dmh s LYS 86 CO 0.02 -1.05 -0.18 -1.17 0.16 0.00 0.00 175.35 173.13 2dmh s LEU 87 N 1.51 1.91 -0.14 5.43 0.20 -1.26 -4.48 118.68 121.85 2dmh s LEU 87 Ca 0.04 -0.52 -0.16 0.00 0.69 0.00 0.00 54.13 54.17 2dmh s LEU 87 Cb -0.25 -1.28 -0.24 0.00 -0.43 0.00 0.00 46.19 44.00 2dmh s LEU 87 CO 0.03 0.03 0.40 0.40 -0.29 0.00 0.00 176.35 176.93 2dmh h ILE 88 N 5.91 0.92 0.00 6.68 2.04 -1.87 -3.44 117.51 127.75 2dmh h ILE 88 Ca -0.33 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2dmh h ILE 88 Cb 1.18 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2dmh h ILE 88 CO 0.53 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.90 2dmh n GLY 89 N 1.69 1.81 3.26 5.37 0.00 -1.16 -4.52 105.19 111.64 2dmh n GLY 89 Ca -0.29 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.62 1.27 -0.23 2.61 -4.23 0.22 -1.69 115.64 111.98 2dmh s THR 90 Ca 0.00 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 2dmh s THR 90 Cb 0.00 -1.81 0.07 0.00 1.34 0.00 0.00 72.50 72.10 2dmh s THR 90 CO 0.00 -0.67 0.55 0.00 -0.54 0.00 0.00 174.62 173.96 2dmh s ALA 91 N -3.07 -1.48 -0.19 3.99 0.00 0.11 -0.34 121.76 120.77 2dmh s ALA 91 Ca 0.16 1.99 -0.08 0.00 0.00 0.00 0.00 51.96 54.02 2dmh s ALA 91 Cb 0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2dmh s ALA 91 CO 0.02 -0.36 0.09 0.99 0.00 0.00 0.00 175.76 176.50 2dmh s THR 92 N 1.61 4.96 -0.16 0.00 2.01 -1.26 -0.35 115.64 122.44 2dmh s THR 92 Ca -0.09 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 2dmh s THR 92 Cb -0.07 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2dmh s THR 92 CO -0.16 0.44 0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 2dmh s VAL 93 N 0.49 4.72 -0.50 3.82 1.01 -0.09 -4.95 120.40 124.90 2dmh s VAL 93 Ca 0.05 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2dmh s VAL 93 Cb -0.12 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dmh s VAL 93 CO 0.00 0.49 0.78 0.00 0.00 0.00 0.00 175.10 176.37 2dmh s ALA 94 N 0.12 3.28 -1.77 5.51 0.00 -1.26 -0.49 121.76 127.15 2dmh s ALA 94 Ca 0.04 -1.31 0.22 0.00 0.00 0.00 0.00 51.96 50.91 2dmh s ALA 94 Cb -0.12 -3.51 1.21 0.00 0.00 0.00 0.00 23.12 20.70 2dmh s ALA 94 CO 0.01 -2.09 1.68 1.28 0.00 0.00 0.00 175.76 176.64 2dmh n LEU 95 N 6.77 0.00 0.28 0.00 4.77 -1.10 -3.19 117.00 124.54 2dmh n LEU 95 Ca -0.01 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2dmh n LEU 95 Cb 0.47 -0.12 0.82 0.00 -2.33 0.00 0.00 43.42 42.27 2dmh n LEU 95 CO 0.59 -0.04 1.10 0.07 -1.33 0.00 0.00 177.39 177.78 2dmh h LYS 96 N 0.00 0.00 0.00 3.23 2.10 -1.78 0.56 116.57 120.68 2dmh h LYS 96 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2dmh h LYS 96 Cb 0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2dmh h LYS 96 CO 0.00 0.01 -0.07 -0.44 -2.00 0.00 0.00 179.45 176.95 2dmh h ASP 97 N 0.00 0.00 0.34 7.07 3.32 -1.93 -3.14 116.42 122.07 2dmh h ASP 97 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2dmh h ASP 97 Cb 0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2dmh h ASP 97 CO 0.00 0.07 -1.91 0.18 -1.72 0.00 0.00 179.24 175.86 2dmh n LEU 98 N -3.16 0.83 -4.33 1.55 4.77 0.09 -4.97 117.00 111.78 2dmh n LEU 98 Ca 0.02 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 2dmh n LEU 98 Cb 0.42 0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2dmh n LEU 98 CO 0.31 0.46 -0.32 0.35 -1.33 0.00 0.00 177.39 176.86 2dmh n THR 99 N -3.01 0.94 -2.81 -5.08 -2.24 -0.60 -4.72 114.28 96.77 2dmh n THR 99 Ca -0.22 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2dmh n THR 99 Cb 1.08 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 2.22 -0.66 2.31 3.38 0.00 -1.26 -4.96 105.19 106.21 2dmh n GLY 100 Ca 0.12 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 2.92 6.07 -3.65 1.61 8.00 -1.26 -4.84 116.55 125.41 2dmh n ASP 101 Ca 0.00 -3.77 -0.00 0.00 0.71 0.00 0.00 54.79 51.73 2dmh n ASP 101 Cb 0.00 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.39 2dmh n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmh s GLN 102 N -3.72 0.22 0.14 -1.24 -2.07 -1.26 -5.02 119.66 106.71 2dmh s GLN 102 Ca 0.55 0.38 -0.33 0.00 -1.82 0.00 0.00 55.36 54.14 2dmh s GLN 102 Cb 0.44 0.04 -0.17 0.00 -1.09 0.00 0.00 33.01 32.23 2dmh s GLN 102 CO -0.07 -0.05 0.93 0.45 -1.32 0.00 0.00 175.29 175.23 2dmh n SER 103 N 3.38 0.14 -3.65 12.60 2.88 -1.26 -4.81 113.62 122.91 2dmh n SER 103 Ca -0.18 1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2dmh n SER 103 Cb 0.57 -1.05 -0.13 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.53 0.17 -0.33 -1.46 3.52 -0.71 -5.01 118.95 114.61 2dmh s ARG 104 Ca 0.75 0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 57.12 2dmh s ARG 104 Cb -0.99 -0.01 0.07 0.00 -1.56 0.00 0.00 34.95 32.47 2dmh s ARG 104 CO 0.55 -0.29 0.04 -1.54 -0.81 0.00 0.00 175.30 173.25 2dmh s SER 105 N 2.45 4.89 -0.24 -2.12 1.04 -1.26 -1.95 113.70 116.51 2dmh s SER 105 Ca 0.01 -1.61 -0.08 0.00 0.48 0.00 0.00 55.95 54.75 2dmh s SER 105 Cb -0.12 -1.70 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 2dmh s SER 105 CO -0.09 -0.34 0.08 -0.76 0.98 0.00 0.00 173.24 173.11 2dmh s LEU 106 N 1.15 3.59 -0.41 2.42 1.43 -1.06 -4.98 118.68 120.83 2dmh s LEU 106 Ca 0.00 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 2dmh s LEU 106 Cb -0.20 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2dmh s LEU 106 CO -0.03 0.01 1.73 -2.16 0.23 0.00 0.00 176.35 176.13 2dmh s PRO 107 N 1.34 3.23 -0.60 1.29 0.04 -1.26 -3.66 135.00 135.39 2dmh s PRO 107 Ca 0.05 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 2dmh s PRO 107 Cb -0.15 -4.20 0.09 0.00 0.04 0.00 0.00 34.50 30.28 2dmh s PRO 107 CO 0.04 -1.99 0.77 0.71 0.04 0.00 0.00 177.00 176.57 2dmh s TYR 108 N 7.06 2.91 0.35 0.56 2.02 0.19 -4.99 117.35 125.45 2dmh s TYR 108 Ca 0.73 -0.76 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 2dmh s TYR 108 Cb -0.19 -4.02 -0.07 0.00 -0.40 0.00 0.00 41.96 37.28 2dmh s TYR 108 CO 0.31 -1.35 0.04 0.15 -1.57 0.00 0.00 175.55 173.13 2dmh s LYS 109 N 3.08 1.75 -1.44 -0.62 1.02 -1.26 0.12 119.74 122.39 2dmh s LYS 109 Ca 0.15 -1.98 -0.03 0.00 0.02 0.00 0.00 55.97 54.14 2dmh s LYS 109 Cb -0.21 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2dmh s LYS 109 CO 0.08 -0.14 0.41 1.28 -0.92 0.00 0.00 175.35 176.07 2dmh n LEU 110 N -0.78 -2.40 -4.69 3.17 4.77 -1.26 -4.95 117.00 110.87 2dmh n LEU 110 Ca -0.03 -0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 2dmh n LEU 110 Cb 0.67 -2.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.03 2dmh n LEU 110 CO 0.45 0.11 0.85 -0.63 -1.33 0.00 0.00 177.39 176.84 2dmh s ILE 111 N -3.07 4.52 -0.32 -0.08 1.01 -1.25 -4.95 121.20 117.06 2dmh s ILE 111 Ca 0.21 1.82 -0.23 0.00 0.00 0.00 0.00 60.65 62.44 2dmh s ILE 111 Cb -0.09 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2dmh s ILE 111 CO 0.25 0.03 0.78 -0.44 0.00 0.00 0.00 174.94 175.56 2dmh s SER 112 N 1.23 6.62 0.32 3.58 0.01 -1.26 -3.49 113.70 120.71 2dmh s SER 112 Ca 0.53 0.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.18 2dmh s SER 112 Cb -0.22 -2.40 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 2dmh s SER 112 CO 0.22 -0.64 0.78 -0.76 0.41 0.00 0.00 173.24 173.25 2dmh s LEU 113 N 2.98 4.11 0.04 2.44 1.43 -0.91 -4.74 118.68 124.02 2dmh s LEU 113 Ca 0.32 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 2dmh s LEU 113 Cb -0.14 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 2dmh s LEU 113 CO 0.14 -0.18 -0.17 -0.76 0.23 0.00 0.00 176.35 175.61 2dmh s LEU 114 N -2.76 2.16 0.00 1.79 1.43 0.54 -2.11 118.68 119.72 2dmh s LEU 114 Ca 0.53 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2dmh s LEU 114 Cb -0.12 -0.79 0.22 0.00 0.03 0.00 0.00 46.19 45.53 2dmh s LEU 114 CO 0.18 0.10 0.96 -0.46 0.23 0.00 0.00 176.35 177.36 2dmh n ASN 115 N 1.93 -1.05 -0.26 2.29 0.23 -1.17 0.73 115.26 117.96 2dmh n ASN 115 Ca -0.17 -1.18 0.31 0.00 -0.53 0.00 0.00 54.58 53.00 2dmh n ASN 115 Cb 0.54 -0.81 0.72 0.00 -2.08 0.00 0.00 39.78 38.15 2dmh n ASN 115 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2dmh h GLU 116 N 0.00 0.04 0.00 -3.83 4.81 -1.93 0.90 114.58 114.56 2dmh h GLU 116 Ca -0.34 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 2dmh h GLU 116 Cb 0.98 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2dmh h GLU 116 CO 0.23 0.02 -0.73 0.87 -0.73 0.00 0.00 179.01 178.68 2dmh h LYS 117 N 0.04 0.00 0.00 1.92 1.79 -1.99 -3.48 116.57 114.85 2dmh h LYS 117 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2dmh h LYS 117 Cb 1.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.59 2dmh h LYS 117 CO -0.03 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 179.08 2dmh n GLY 118 N 1.25 1.25 3.82 3.86 0.00 0.31 -5.08 105.19 110.59 2dmh n GLY 118 Ca -0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.47 3.83 -0.90 1.61 -1.52 -1.26 -4.74 119.66 115.21 2dmh s GLN 119 Ca 0.00 0.05 -0.27 0.00 -1.95 0.00 0.00 55.36 53.19 2dmh s GLN 119 Cb 0.00 -3.28 -0.21 0.00 -0.22 0.00 0.00 33.01 29.30 2dmh s GLN 119 CO 0.00 0.58 2.56 -0.40 -0.25 0.00 0.00 175.29 177.78 2dmh n ASP 120 N 2.49 0.44 -0.05 5.90 5.68 -1.26 -3.04 116.55 126.70 2dmh n ASP 120 Ca -0.16 -0.12 -0.07 0.00 -0.50 0.00 0.00 54.79 53.94 2dmh n ASP 120 Cb 0.53 -1.01 0.10 0.00 -1.14 0.00 0.00 41.12 39.61 2dmh n ASP 120 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2dmh h THR 121 N 7.79 1.28 0.00 2.12 1.35 -1.75 -3.48 112.91 120.22 2dmh h THR 121 Ca -0.07 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 2dmh h THR 121 Cb 1.26 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2dmh h THR 121 CO 1.37 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 177.71 2dmh n GLY 122 N -0.17 1.34 3.34 5.82 0.00 -1.26 -4.86 105.19 109.40 2dmh n GLY 122 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.52 -0.06 4.61 0.00 -1.16 -4.53 121.76 121.15 2dmh s ALA 123 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2dmh s ALA 123 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2dmh s ALA 123 CO 0.00 0.25 -0.19 0.95 0.00 0.00 0.00 175.76 176.77 2dmh s THR 124 N 0.36 2.63 -0.03 0.00 -4.23 0.15 -2.15 115.64 112.38 2dmh s THR 124 Ca -0.12 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2dmh s THR 124 Cb -0.16 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2dmh s THR 124 CO 0.06 0.58 -0.04 -0.51 -0.54 0.00 0.00 174.62 174.17 2dmh s ILE 125 N -0.45 0.43 0.01 2.99 2.07 -1.23 -0.29 121.20 124.74 2dmh s ILE 125 Ca 0.05 -0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 58.99 2dmh s ILE 125 Cb -0.12 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 41.97 2dmh s ILE 125 CO 0.02 0.17 0.50 -1.81 -1.91 0.00 0.00 174.94 171.91 2dmh s ASP 126 N 0.56 6.91 -0.10 4.50 1.01 -0.81 -3.88 116.67 124.86 2dmh s ASP 126 Ca -0.07 1.08 -0.14 0.00 0.71 0.00 0.00 52.55 54.14 2dmh s ASP 126 Cb -0.10 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 41.55 2dmh s ASP 126 CO -0.00 0.24 0.35 -0.76 0.21 0.00 0.00 175.17 175.21 2dmh s LEU 127 N -0.79 0.66 -0.30 1.23 1.43 0.12 -3.11 118.68 117.92 2dmh s LEU 127 Ca 0.27 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2dmh s LEU 127 Cb -0.18 1.28 0.08 0.00 0.03 0.00 0.00 46.19 47.41 2dmh s LEU 127 CO 0.16 -0.23 -0.00 -0.69 0.23 0.00 0.00 176.35 175.81 2dmh s VAL 128 N -0.28 2.02 -0.09 -1.59 1.01 -0.33 0.52 120.40 121.66 2dmh s VAL 128 Ca -0.04 -1.91 -0.05 0.00 0.00 0.00 0.00 61.98 59.98 2dmh s VAL 128 Cb -0.03 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2dmh s VAL 128 CO 0.02 -0.38 0.10 -0.63 0.00 0.00 0.00 175.10 174.21 2dmh s ILE 129 N 1.09 5.10 -0.05 2.22 1.01 -1.24 -1.03 121.20 128.30 2dmh s ILE 129 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2dmh s ILE 129 Cb -0.19 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.08 2dmh s ILE 129 CO -0.08 0.58 -0.02 -0.83 0.00 0.00 0.00 174.94 174.58 2dmh s GLY 130 N -1.10 0.42 -0.22 6.18 0.00 -0.45 -2.55 107.32 109.61 2dmh s GLY 130 Ca 0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.74 2dmh s GLY 130 CO 0.05 0.73 0.14 -0.47 0.00 0.00 0.00 173.10 173.55 2dmh s TYR 131 N 1.33 3.33 -0.22 1.90 5.04 -0.82 -2.64 117.35 125.26 2dmh s TYR 131 Ca -0.05 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.79 2dmh s TYR 131 Cb -0.13 -2.22 0.02 0.00 0.35 0.00 0.00 41.96 39.98 2dmh s TYR 131 CO -0.02 0.12 -0.11 0.34 -1.34 0.00 0.00 175.55 174.54 2dmh s ASP 132 N 0.81 3.91 0.19 4.32 -1.08 -1.23 -1.74 116.67 121.85 2dmh s ASP 132 Ca 0.07 -0.72 -0.30 0.00 -0.52 0.00 0.00 52.55 51.08 2dmh s ASP 132 Cb -0.13 -1.61 -0.09 0.00 -1.46 0.00 0.00 42.92 39.64 2dmh s ASP 132 CO 0.02 -0.06 1.31 -2.16 0.52 0.00 0.00 175.17 174.80 2dmh s PRO 133 N 1.33 4.39 0.30 4.34 0.04 -1.26 -3.69 135.00 140.45 2dmh s PRO 133 Ca 0.02 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2dmh s PRO 133 Cb -0.15 -3.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2dmh s PRO 133 CO -0.07 -0.26 1.23 -1.25 0.04 0.00 0.00 177.00 176.69 2dmh s PRO 134 N -0.02 4.46 -0.14 0.56 0.04 -1.26 -4.71 135.00 133.93 2dmh s PRO 134 Ca 0.57 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.39 2dmh s PRO 134 Cb -0.36 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.12 2dmh s PRO 134 CO 0.37 -0.05 0.68 0.45 0.04 0.00 0.00 177.00 178.49 2dmh s SER 135 N -0.57 -0.67 0.41 6.66 0.15 -1.22 -4.95 113.70 113.51 2dmh s SER 135 Ca 0.48 0.99 0.07 0.00 0.70 0.00 0.00 55.95 58.19 2dmh s SER 135 Cb -0.37 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2dmh s SER 135 CO 0.48 -0.45 0.25 -0.83 1.20 0.00 0.00 173.24 173.88 2dmh s GLY 136 N -0.53 2.26 0.01 9.45 0.00 -1.26 -4.07 107.32 113.17 2dmh s GLY 136 Ca -0.06 -2.03 -0.30 0.00 0.00 0.00 0.00 44.72 42.33 2dmh s GLY 136 CO 0.06 -1.83 1.44 2.56 0.00 0.00 0.00 173.10 175.33 2dmh s PRO 137 N -3.98 4.27 0.05 2.90 0.04 -1.26 -4.94 135.00 132.08 2dmh s PRO 137 Ca 0.43 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 63.17 2dmh s PRO 137 Cb 0.01 -3.57 -0.12 0.00 0.04 0.00 0.00 34.50 30.86 2dmh s PRO 137 CO 0.24 -0.60 1.80 -1.13 0.04 0.00 0.00 177.00 177.35 2dmh n SER 138 N 5.39 3.60 -3.74 6.66 3.41 -1.26 -4.97 113.62 122.70 2dmh n SER 138 Ca 0.14 1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 59.51 2dmh n SER 138 Cb 0.43 -1.45 -0.17 0.00 -0.26 0.00 0.00 64.21 62.76 2dmh n SER 138 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmh s SER 139 N 2.86 1.82 0.00 4.04 0.01 -1.26 -5.36 113.70 115.81 2dmh s SER 139 Ca 0.85 -0.23 0.22 0.00 1.31 0.00 0.00 55.95 58.10 2dmh s SER 139 Cb -0.60 -0.42 1.32 0.00 0.21 0.00 0.00 66.02 66.53 2dmh s SER 139 CO 0.43 -0.23 1.70 0.61 0.41 0.00 0.00 173.24 176.15