#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmm s PRO 5 N 0.00 2.94 -0.19 0.00 0.02 -1.26 -4.67 135.00 131.84 3dmm s PRO 5 Ca 0.00 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 3dmm s PRO 5 Cb 0.00 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.61 3dmm s PRO 5 CO 0.00 -1.16 0.49 -2.00 -0.33 0.00 0.00 177.00 174.00 3dmm s GLU 6 N -3.85 0.55 -0.26 5.54 2.12 0.13 -4.98 118.70 117.95 3dmm s GLU 6 Ca 0.69 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.72 3dmm s GLU 6 Cb -0.22 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.42 3dmm s GLU 6 CO 0.37 -0.09 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.46 3dmm s LEU 7 N 0.49 3.33 -0.01 2.70 1.43 -1.26 -1.90 118.68 123.46 3dmm s LEU 7 Ca -0.02 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 3dmm s LEU 7 Cb -0.04 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3dmm s LEU 7 CO -0.02 -0.14 0.29 -0.13 0.23 0.00 0.00 176.35 176.57 3dmm s ARG 8 N 1.35 3.65 -0.06 1.70 0.52 -0.74 -4.27 118.95 121.09 3dmm s ARG 8 Ca 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.24 3dmm s ARG 8 Cb -0.17 -3.13 0.04 0.00 0.52 0.00 0.00 34.95 32.21 3dmm s ARG 8 CO -0.03 0.68 0.14 -1.50 0.02 0.00 0.00 175.30 174.61 3dmm s ILE 9 N -1.20 -0.05 0.02 1.52 2.07 -1.26 0.88 121.20 123.18 3dmm s ILE 9 Ca 0.25 0.19 0.04 0.00 -1.41 0.00 0.00 60.65 59.71 3dmm s ILE 9 Cb -0.14 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.20 3dmm s ILE 9 CO 0.13 0.08 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.76 3dmm s PHE 10 N 1.20 1.05 0.60 3.50 0.08 -0.87 -4.19 117.98 119.34 3dmm s PHE 10 Ca -0.09 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 3dmm s PHE 10 Cb -0.12 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 3dmm s PHE 10 CO -0.06 0.00 1.05 -1.25 -0.10 0.00 0.00 175.22 174.87 3dmm s PRO 11 N -0.82 3.33 0.00 0.24 0.04 -1.26 -1.53 135.00 135.00 3dmm s PRO 11 Ca 0.01 1.16 0.21 0.00 0.04 0.00 0.00 61.00 62.42 3dmm s PRO 11 Cb -0.06 -2.04 1.14 0.00 0.04 0.00 0.00 34.50 33.58 3dmm s PRO 11 CO 0.00 -0.80 1.66 1.63 0.04 0.00 0.00 177.00 179.53 3dmm n LYS 12 N -2.11 0.45 -3.76 4.56 4.76 -1.26 -4.82 118.16 115.98 3dmm n LYS 12 Ca 0.08 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.55 3dmm n LYS 12 Cb 0.53 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3dmm n LYS 12 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3dmm s LYS 13 N -2.33 1.06 -0.29 1.97 0.00 -1.26 -4.17 119.74 114.72 3dmm s LYS 13 Ca 0.25 -0.61 -0.13 0.00 0.00 0.00 0.00 55.97 55.48 3dmm s LYS 13 Cb 0.14 0.35 0.12 0.00 0.00 0.00 0.00 37.83 38.44 3dmm s LYS 13 CO 0.29 -0.49 0.72 1.41 0.00 0.00 0.00 175.35 177.27 3dmm s MET 14 N -2.88 0.58 -0.52 1.78 1.75 0.76 -4.90 119.30 115.86 3dmm s MET 14 Ca 0.15 1.27 0.02 0.00 -1.25 0.00 0.00 55.69 55.87 3dmm s MET 14 Cb -0.00 0.57 0.45 0.00 2.84 0.00 0.00 34.83 38.68 3dmm s MET 14 CO 0.02 -0.17 1.69 -0.25 -0.65 0.00 0.00 175.02 175.66 3dmm n ASP 15 N 4.96 6.57 -4.66 1.11 8.00 -1.25 -1.95 116.55 129.32 3dmm n ASP 15 Ca -0.14 -3.77 -0.31 0.00 0.71 0.00 0.00 54.79 51.27 3dmm n ASP 15 Cb 0.53 -0.72 0.17 0.00 -0.02 0.00 0.00 41.12 41.08 3dmm n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dmm s ALA 16 N -3.74 1.34 0.09 2.24 0.00 -1.14 -3.61 121.76 116.94 3dmm s ALA 16 Ca 0.59 0.52 0.09 0.00 0.00 0.00 0.00 51.96 53.16 3dmm s ALA 16 Cb 0.47 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3dmm s ALA 16 CO -0.00 -2.82 -0.21 -2.00 0.00 0.00 0.00 175.76 170.73 3dmm s GLU 17 N -4.65 1.78 0.14 0.00 2.12 -1.26 -3.46 118.70 113.38 3dmm s GLU 17 Ca 0.67 -1.15 -0.24 0.00 0.36 0.00 0.00 54.97 54.60 3dmm s GLU 17 Cb -0.23 -2.07 -0.14 0.00 0.26 0.00 0.00 34.13 31.95 3dmm s GLU 17 CO 0.58 0.50 0.50 1.28 -0.54 0.00 0.00 175.26 177.58 3dmm n LEU 18 N 1.18 -0.87 -1.20 2.70 4.77 -1.26 -1.61 117.00 120.72 3dmm n LEU 18 Ca -0.16 0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3dmm n LEU 18 Cb 0.52 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3dmm n LEU 18 CO 0.26 -2.32 -0.14 0.61 -1.33 0.00 0.00 177.39 174.47 3dmm n GLY 19 N 1.58 0.70 3.84 -0.72 0.00 -0.79 -4.86 105.19 104.93 3dmm n GLY 19 Ca 0.15 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3dmm n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dmm s GLN 20 N -3.77 3.12 -0.39 1.61 0.74 -0.63 -4.66 119.66 115.68 3dmm s GLN 20 Ca 0.00 -0.62 -0.18 0.00 0.05 0.00 0.00 55.36 54.61 3dmm s GLN 20 Cb 0.00 -2.84 0.01 0.00 1.10 0.00 0.00 33.01 31.28 3dmm s GLN 20 CO 0.00 0.57 0.49 0.21 -0.55 0.00 0.00 175.29 176.01 3dmm s LYS 21 N -2.58 3.34 -0.07 1.67 2.20 -1.26 -1.30 119.74 121.75 3dmm s LYS 21 Ca 0.32 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 3dmm s LYS 21 Cb -0.12 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 3dmm s LYS 21 CO 0.25 -0.78 -0.04 0.08 -0.36 0.00 0.00 175.35 174.50 3dmm s VAL 22 N 2.33 3.97 -0.05 4.02 1.01 -0.94 -4.96 120.40 125.77 3dmm s VAL 22 Ca 0.16 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3dmm s VAL 22 Cb -0.16 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 3dmm s VAL 22 CO 0.14 0.57 -0.20 -1.81 0.00 0.00 0.00 175.10 173.81 3dmm s ASP 23 N -0.93 2.49 -0.13 3.32 1.11 -1.26 -0.13 116.67 121.14 3dmm s ASP 23 Ca 0.14 -0.42 0.03 0.00 0.18 0.00 0.00 52.55 52.48 3dmm s ASP 23 Cb -0.11 -0.76 0.01 0.00 1.07 0.00 0.00 42.92 43.13 3dmm s ASP 23 CO 0.03 0.17 -0.22 -0.76 1.18 0.00 0.00 175.17 175.57 3dmm s LEU 24 N 0.04 2.10 -0.11 1.23 1.43 -0.60 -4.45 118.68 118.33 3dmm s LEU 24 Ca -0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3dmm s LEU 24 Cb -0.13 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3dmm s LEU 24 CO 0.03 0.09 -0.12 -0.69 0.23 0.00 0.00 176.35 175.90 3dmm s VAL 25 N 0.73 3.22 -0.22 -1.59 1.01 -0.58 -1.81 120.40 121.17 3dmm s VAL 25 Ca -0.09 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3dmm s VAL 25 Cb -0.16 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 3dmm s VAL 25 CO 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 3dmm s GLU 27 N 1.44 2.90 -0.69 0.00 2.12 0.25 -1.28 118.70 123.45 3dmm s GLU 27 Ca 0.05 -1.49 -0.25 0.00 0.36 0.00 0.00 54.97 53.64 3dmm s GLU 27 Cb -0.14 -4.12 0.05 0.00 0.26 0.00 0.00 34.13 30.18 3dmm s GLU 27 CO -0.05 -1.11 1.10 0.08 -0.54 0.00 0.00 175.26 174.74 3dmm s VAL 28 N 1.58 4.06 -0.28 3.70 1.01 0.13 -1.80 120.40 128.80 3dmm s VAL 28 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 3dmm s VAL 28 Cb -0.26 -4.79 0.02 0.00 0.00 0.00 0.00 36.38 31.36 3dmm s VAL 28 CO 0.05 -1.63 0.01 -0.76 0.00 0.00 0.00 175.10 172.77 3dmm s LEU 29 N 4.80 3.58 0.00 3.92 1.43 -0.80 -4.71 118.68 126.91 3dmm s LEU 29 Ca 0.28 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3dmm s LEU 29 Cb -0.13 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3dmm s LEU 29 CO 0.13 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3dmm n GLY 30 N 4.76 -2.25 3.73 -3.19 0.00 -1.26 -0.69 105.19 106.28 3dmm n GLY 30 Ca -0.15 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3dmm n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dmm s SER 31 N -1.46 3.78 -0.33 1.61 1.04 -1.26 -4.76 113.70 112.33 3dmm s SER 31 Ca 0.00 1.99 -0.31 0.00 0.48 0.00 0.00 55.95 58.12 3dmm s SER 31 Cb 0.00 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.45 3dmm s SER 31 CO 0.00 -2.52 1.06 0.52 0.98 0.00 0.00 173.24 173.28 3dmm n VAL 32 N -3.84 0.00 -3.60 5.02 0.31 -1.26 -4.92 118.33 110.04 3dmm n VAL 32 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3dmm n VAL 32 Cb 0.53 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3dmm n VAL 32 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3dmm n SER 33 N 2.74 1.71 0.00 4.52 3.41 -1.26 -4.87 113.62 119.86 3dmm n SER 33 Ca 0.21 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3dmm n SER 33 Cb -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3dmm n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dmm n GLN 34 N 0.00 0.00 0.00 4.33 10.64 -1.26 -5.05 117.38 126.04 3dmm n GLN 34 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3dmm n GLN 34 Cb 0.00 -0.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 3dmm n GLN 34 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dmm n GLY 35 N 2.32 0.53 3.79 2.61 0.00 -1.26 -2.15 105.19 111.03 3dmm n GLY 35 Ca 0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 3dmm n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmm s SER 37 N -1.19 2.69 -0.18 0.00 0.01 -0.56 0.11 113.70 114.58 3dmm s SER 37 Ca 0.17 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 3dmm s SER 37 Cb -0.12 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 3dmm s SER 37 CO 0.06 0.23 0.02 0.26 0.41 0.00 0.00 173.24 174.23 3dmm s TRP 38 N -0.23 3.13 0.09 2.43 0.52 0.20 -0.97 118.94 124.11 3dmm s TRP 38 Ca 0.01 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.04 3dmm s TRP 38 Cb -0.11 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3dmm s TRP 38 CO 0.02 0.00 -0.11 -0.51 0.02 0.00 0.00 176.95 176.37 3dmm s LEU 39 N 0.53 2.97 -0.00 2.99 1.43 0.00 -0.53 118.68 126.08 3dmm s LEU 39 Ca 0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3dmm s LEU 39 Cb -0.13 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 3dmm s LEU 39 CO 0.02 0.20 0.03 0.12 0.23 0.00 0.00 176.35 176.94 3dmm s PHE 40 N -1.15 0.06 -0.32 0.29 5.36 -0.93 -2.59 117.98 118.70 3dmm s PHE 40 Ca 0.20 -0.11 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 3dmm s PHE 40 Cb -0.11 -0.05 0.10 0.00 -0.34 0.00 0.00 43.02 42.62 3dmm s PHE 40 CO 0.12 -0.10 0.07 -0.65 -1.46 0.00 0.00 175.22 173.20 3dmm s GLN 41 N -0.55 1.06 0.18 10.12 -0.21 0.49 -1.31 119.66 129.44 3dmm s GLN 41 Ca -0.06 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 53.62 3dmm s GLN 41 Cb -0.04 -2.51 -0.10 0.00 1.00 0.00 0.00 33.01 31.37 3dmm s GLN 41 CO -0.00 -0.95 1.49 1.21 -2.12 0.00 0.00 175.29 174.93 3dmm s ASN 42 N 1.32 6.66 0.03 5.90 3.04 -1.26 -0.65 114.94 129.98 3dmm s ASN 42 Ca 0.09 2.57 -0.18 0.00 0.04 0.00 0.00 52.86 55.39 3dmm s ASN 42 Cb -0.18 -2.60 -0.25 0.00 -1.54 0.00 0.00 41.25 36.68 3dmm s ASN 42 CO -0.17 -0.75 1.12 -1.28 -3.04 0.00 0.00 177.10 172.97 3dmm h SER 43 N 6.27 0.69 0.00 -4.21 0.87 -0.82 -3.02 113.55 113.32 3dmm h SER 43 Ca -0.43 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 3dmm h SER 43 Cb 1.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3dmm h SER 43 CO 0.86 1.38 0.00 -1.54 -0.53 0.00 0.00 176.83 177.00 3dmm n SER 44 N -4.05 0.00 -4.90 6.23 3.41 -1.26 -4.65 113.62 108.40 3dmm n SER 44 Ca -0.11 -0.70 -0.34 0.00 -0.26 0.00 0.00 58.87 57.46 3dmm n SER 44 Cb 0.78 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 3dmm n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dmm s SER 45 N -1.72 6.36 0.00 4.04 0.15 -1.14 -4.99 113.70 116.39 3dmm s SER 45 Ca 0.07 0.37 0.26 0.00 0.70 0.00 0.00 55.95 57.35 3dmm s SER 45 Cb 0.03 -2.01 0.72 0.00 -1.71 0.00 0.00 66.02 63.05 3dmm s SER 45 CO 0.05 0.30 1.55 0.29 1.20 0.00 0.00 173.24 176.63 3dmm n LYS 46 N 1.20 0.35 -2.86 5.44 4.76 -1.26 -4.82 118.16 120.97 3dmm n LYS 46 Ca -0.13 -0.18 -0.41 0.00 -2.87 0.00 0.00 58.31 54.71 3dmm n LYS 46 Cb 0.53 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 3dmm n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dmm s LEU 47 N -2.78 4.27 0.00 -0.35 1.43 -1.26 -4.95 118.68 115.04 3dmm s LEU 47 Ca 0.17 1.35 0.28 0.00 -1.03 0.00 0.00 54.13 54.91 3dmm s LEU 47 Cb 0.18 -3.32 1.13 0.00 0.03 0.00 0.00 46.19 44.22 3dmm s LEU 47 CO 0.60 -0.29 1.79 -0.81 0.23 0.00 0.00 176.35 177.87 3dmm n PRO 48 N 4.45 1.59 -3.91 1.29 -0.04 -1.26 -4.84 135.00 132.28 3dmm n PRO 48 Ca 0.04 -0.86 -0.35 0.00 -0.04 0.00 0.00 63.50 62.29 3dmm n PRO 48 Cb 0.50 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 3dmm n PRO 48 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3dmm s GLN 49 N -1.99 3.41 0.99 0.54 1.03 -1.26 -5.08 119.66 117.30 3dmm s GLN 49 Ca 0.39 -0.26 -0.12 0.00 0.04 0.00 0.00 55.36 55.41 3dmm s GLN 49 Cb 0.21 -3.12 0.15 0.00 0.03 0.00 0.00 33.01 30.29 3dmm s GLN 49 CO 0.34 0.72 0.89 -2.30 -2.54 0.00 0.00 175.29 172.39 3dmm n PRO 50 N 1.38 -0.92 -3.78 9.60 -0.02 -1.26 -4.83 135.00 135.17 3dmm n PRO 50 Ca -0.15 -0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 60.97 3dmm n PRO 50 Cb 0.54 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 3dmm n PRO 50 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3dmm s THR 51 N -2.52 -0.05 0.28 3.45 -4.23 -0.42 -4.92 115.64 107.23 3dmm s THR 51 Ca 0.64 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 61.04 3dmm s THR 51 Cb -0.22 -0.09 -0.13 0.00 1.34 0.00 0.00 72.50 73.40 3dmm s THR 51 CO 0.62 0.08 1.37 0.33 -0.54 0.00 0.00 174.62 176.47 3dmm n PHE 52 N 4.05 2.21 -0.01 3.99 7.35 -1.26 -2.18 117.46 131.60 3dmm n PHE 52 Ca -0.26 0.47 -0.05 0.00 -0.76 0.00 0.00 57.45 56.85 3dmm n PHE 52 Cb 0.51 -2.45 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 3dmm n PHE 52 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3dmm n VAL 53 N 1.37 0.92 -3.56 -2.13 0.31 0.32 -4.66 118.33 110.89 3dmm n VAL 53 Ca 0.09 0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.42 3dmm n VAL 53 Cb 0.33 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3dmm n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dmm s VAL 54 N -2.21 0.03 -0.05 2.52 1.01 -1.22 -2.75 120.40 117.73 3dmm s VAL 54 Ca -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3dmm s VAL 54 Cb 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3dmm s VAL 54 CO 0.13 -0.15 -0.15 -0.47 0.00 0.00 0.00 175.10 174.47 3dmm s TYR 55 N -2.82 1.57 -0.20 5.22 5.04 0.35 -0.63 117.35 125.88 3dmm s TYR 55 Ca -0.03 -0.50 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 3dmm s TYR 55 Cb -0.00 -1.09 0.04 0.00 0.35 0.00 0.00 41.96 41.25 3dmm s TYR 55 CO -0.05 -0.21 -0.15 -1.64 -1.34 0.00 0.00 175.55 172.16 3dmm s MET 56 N 0.30 2.54 0.58 4.97 -1.94 0.30 -1.29 119.30 124.77 3dmm s MET 56 Ca -0.09 -0.95 -0.20 0.00 -1.71 0.00 0.00 55.69 52.75 3dmm s MET 56 Cb -0.13 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 3dmm s MET 56 CO 0.03 -0.35 1.16 0.00 -0.01 0.00 0.00 175.02 175.85 3dmm n ALA 57 N 4.60 0.81 0.41 3.03 0.00 -0.77 -1.04 120.51 127.54 3dmm n ALA 57 Ca -0.18 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.38 3dmm n ALA 57 Cb 0.47 -2.23 0.20 0.00 0.00 0.00 0.00 19.45 17.90 3dmm n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dmm n SER 58 N -1.01 2.75 0.14 0.00 3.41 -0.91 -4.65 113.62 113.34 3dmm n SER 58 Ca 0.13 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3dmm n SER 58 Cb 0.46 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3dmm n SER 58 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dmm n SER 59 N 0.65 -0.80 -4.75 4.04 7.64 -1.26 -4.99 113.62 114.15 3dmm n SER 59 Ca 0.15 0.48 -0.31 0.00 1.01 0.00 0.00 58.87 60.21 3dmm n SER 59 Cb 0.49 0.92 0.11 0.00 -1.01 0.00 0.00 64.21 64.72 3dmm n SER 59 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3dmm s HIS 60 N -1.82 2.50 -1.32 1.43 0.00 -1.26 -4.97 115.29 109.86 3dmm s HIS 60 Ca 0.00 1.44 0.07 0.00 -3.00 0.00 0.00 55.06 53.57 3dmm s HIS 60 Cb 0.00 -3.09 0.30 0.00 -4.00 0.00 0.00 32.58 25.80 3dmm s HIS 60 CO 0.00 -2.00 1.11 0.09 -1.00 0.00 0.00 174.74 172.94 3dmm n ASN 61 N -3.64 2.30 -4.66 7.38 3.02 -1.26 -4.45 115.26 113.95 3dmm n ASN 61 Ca 0.08 -2.20 -0.45 0.00 -0.03 0.00 0.00 54.58 51.98 3dmm n ASN 61 Cb 0.54 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3dmm n ASN 61 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dmm n LYS 62 N 0.31 1.90 -3.41 3.52 4.01 -1.26 -4.88 118.16 118.35 3dmm n LYS 62 Ca 0.11 0.67 -0.19 0.00 -0.51 0.00 0.00 58.31 58.39 3dmm n LYS 62 Cb 0.45 -2.30 -0.10 0.00 -0.51 0.00 0.00 35.03 32.57 3dmm n LYS 62 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3dmm s ILE 63 N -0.10 -0.30 -0.06 -0.18 1.01 -1.26 -1.85 121.20 118.45 3dmm s ILE 63 Ca 0.69 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 3dmm s ILE 63 Cb -0.68 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3dmm s ILE 63 CO 0.50 -0.57 0.62 -0.89 0.00 0.00 0.00 174.94 174.60 3dmm s THR 64 N 1.96 5.04 0.27 2.92 2.01 -0.41 -4.89 115.64 122.55 3dmm s THR 64 Ca 0.12 1.27 0.09 0.00 0.31 0.00 0.00 61.69 63.48 3dmm s THR 64 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 3dmm s THR 64 CO -0.22 0.32 0.07 0.26 -0.69 0.00 0.00 174.62 174.36 3dmm s TRP 65 N 0.49 2.83 0.33 4.92 0.52 -1.26 -0.50 118.94 126.27 3dmm s TRP 65 Ca 0.33 -0.20 -0.29 0.00 0.02 0.00 0.00 56.10 55.96 3dmm s TRP 65 Cb -0.17 -1.30 -0.10 0.00 -1.15 0.00 0.00 33.47 30.74 3dmm s TRP 65 CO 0.16 0.56 1.34 0.34 0.02 0.00 0.00 176.95 179.37 3dmm s ASP 66 N -3.74 6.70 0.04 2.95 2.15 -1.11 -4.85 116.67 118.81 3dmm s ASP 66 Ca 0.32 2.74 -0.09 0.00 0.43 0.00 0.00 52.55 55.96 3dmm s ASP 66 Cb -0.07 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 3dmm s ASP 66 CO 0.22 -0.59 1.15 -0.33 -0.17 0.00 0.00 175.17 175.45 3dmm h GLU 67 N 3.41 -0.05 -0.00 4.34 4.39 -1.96 0.22 114.58 124.93 3dmm h GLU 67 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3dmm h GLU 67 Cb 1.23 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3dmm h GLU 67 CO 0.66 -0.03 0.27 0.87 -1.16 0.00 0.00 179.01 179.62 3dmm h LYS 68 N -0.05 0.00 0.01 2.33 6.56 -2.01 0.48 116.57 123.90 3dmm h LYS 68 Ca 0.03 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.42 3dmm h LYS 68 Cb 0.14 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 3dmm h LYS 68 CO -0.22 0.00 -0.91 1.25 -2.06 0.00 0.00 179.45 177.51 3dmm h LEU 69 N 0.00 0.29 -9.56 2.94 7.12 -0.96 -3.44 115.31 111.70 3dmm h LEU 69 Ca 0.00 -0.24 -0.50 0.00 0.13 0.00 0.00 57.88 57.27 3dmm h LEU 69 Cb 0.54 -0.09 0.23 0.00 -0.53 0.00 0.00 40.66 40.81 3dmm h LEU 69 CO -0.00 1.06 -1.15 0.59 -0.13 0.00 0.00 178.44 178.81 3dmm n ASN 70 N -3.65 -2.85 0.00 1.25 4.13 0.17 -2.98 115.26 111.33 3dmm n ASN 70 Ca -0.04 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.34 3dmm n ASN 70 Cb 0.83 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 3dmm n ASN 70 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3dmm n SER 71 N -0.26 0.00 -4.60 6.41 7.64 -1.26 -4.83 113.62 116.72 3dmm n SER 71 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 3dmm n SER 71 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 3dmm n SER 71 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3dmm s SER 72 N 0.00 6.45 -0.40 6.43 0.15 -1.16 -5.00 113.70 120.17 3dmm s SER 72 Ca 0.00 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 3dmm s SER 72 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 3dmm s SER 72 CO 0.00 -1.35 0.38 -0.75 1.20 0.00 0.00 173.24 172.72 3dmm s LYS 73 N 4.73 3.19 0.00 5.44 2.20 -1.26 -4.70 119.74 129.33 3dmm s LYS 73 Ca 0.58 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 3dmm s LYS 73 Cb -0.13 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 3dmm s LYS 73 CO 0.31 -0.74 0.00 1.47 -0.36 0.00 0.00 175.35 176.03 3dmm n LEU 74 N 5.43 0.00 -4.24 5.43 -0.00 -1.26 -5.04 117.00 117.31 3dmm n LEU 74 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.71 3dmm n LEU 74 Cb 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.78 3dmm n LEU 74 CO 0.43 0.01 -0.49 -0.36 -0.00 0.00 0.00 177.39 176.99 3dmm s PHE 75 N 0.00 1.55 0.18 1.47 0.40 -1.26 -2.51 117.98 117.81 3dmm s PHE 75 Ca 0.00 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 3dmm s PHE 75 Cb 0.00 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 3dmm s PHE 75 CO 0.00 0.16 -0.01 0.45 0.70 0.00 0.00 175.22 176.52 3dmm s SER 76 N -1.98 1.39 0.08 1.36 0.15 -0.26 -4.90 113.70 109.55 3dmm s SER 76 Ca 0.05 -1.16 -0.19 0.00 0.70 0.00 0.00 55.95 55.34 3dmm s SER 76 Cb -0.09 0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3dmm s SER 76 CO 0.04 -0.53 0.46 0.00 1.20 0.00 0.00 173.24 174.40 3dmm s ALA 77 N -3.58 -1.14 -0.12 5.45 0.00 -1.26 -1.57 121.76 119.54 3dmm s ALA 77 Ca 0.24 0.30 -0.33 0.00 0.00 0.00 0.00 51.96 52.16 3dmm s ALA 77 Cb 0.06 0.52 0.13 0.00 0.00 0.00 0.00 23.12 23.83 3dmm s ALA 77 CO 0.04 -0.56 1.24 0.00 0.00 0.00 0.00 175.76 176.48 3dmm s MET 78 N -3.03 0.34 0.24 0.00 0.23 -1.00 -5.01 119.30 111.07 3dmm s MET 78 Ca -0.02 -0.16 0.00 0.00 -1.03 0.00 0.00 55.69 54.49 3dmm s MET 78 Cb 0.00 0.14 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 3dmm s MET 78 CO -0.06 -0.15 0.02 -2.13 -2.03 0.00 0.00 175.02 170.66 3dmm n ARG 79 N -0.24 1.40 0.00 3.16 0.63 -1.26 -1.13 116.66 119.22 3dmm n ARG 79 Ca -0.03 -1.70 0.00 0.00 -0.92 0.00 0.00 57.85 55.20 3dmm n ARG 79 Cb 0.60 0.43 0.00 0.00 0.45 0.00 0.00 32.46 33.93 3dmm n ARG 79 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3dmm n ASP 80 N -1.23 0.00 -3.79 6.15 5.75 -1.17 -4.92 116.55 117.34 3dmm n ASP 80 Ca -0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.40 3dmm n ASP 80 Cb 0.30 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.39 3dmm n ASP 80 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3dmm n THR 81 N -0.10 -2.56 -1.02 2.12 -1.04 -1.26 -3.41 114.28 107.01 3dmm n THR 81 Ca 0.00 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.05 61.47 3dmm n THR 81 Cb 0.00 -2.24 -0.01 0.00 -1.82 0.00 0.00 70.33 66.26 3dmm n THR 81 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3dmm n ASN 82 N -2.01 -1.63 0.00 8.00 3.02 -1.26 -0.65 115.26 120.73 3dmm n ASN 82 Ca -0.21 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 3dmm n ASN 82 Cb 0.56 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3dmm n ASN 82 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3dmm n ASN 83 N 1.66 -0.55 -3.88 6.41 0.23 -1.26 -5.08 115.26 112.79 3dmm n ASN 83 Ca 0.11 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.86 3dmm n ASN 83 Cb 0.25 -0.09 -0.15 0.00 -2.08 0.00 0.00 39.78 37.71 3dmm n ASN 83 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3dmm s LYS 84 N -0.33 1.22 -0.16 -3.83 1.02 0.17 0.18 119.74 118.01 3dmm s LYS 84 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 3dmm s LYS 84 Cb 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 3dmm s LYS 84 CO 0.00 -0.83 0.19 0.71 -0.92 0.00 0.00 175.35 174.51 3dmm s TYR 85 N 1.37 3.48 -0.19 3.18 1.51 -0.40 -3.06 117.35 123.23 3dmm s TYR 85 Ca 0.04 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3dmm s TYR 85 Cb -0.18 -2.17 0.04 0.00 -0.11 0.00 0.00 41.96 39.54 3dmm s TYR 85 CO -0.13 0.39 -0.09 0.08 -1.11 0.00 0.00 175.55 174.68 3dmm s VAL 86 N 0.01 1.54 -0.19 0.71 1.01 -0.28 -0.45 120.40 122.75 3dmm s VAL 86 Ca 0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3dmm s VAL 86 Cb -0.12 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3dmm s VAL 86 CO 0.02 0.17 0.23 -0.22 0.00 0.00 0.00 175.10 175.29 3dmm s LEU 87 N 1.44 4.21 -0.02 3.92 2.96 -0.75 -2.36 118.68 128.07 3dmm s LEU 87 Ca -0.01 0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 3dmm s LEU 87 Cb -0.16 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3dmm s LEU 87 CO -0.08 0.11 -0.24 0.42 -1.32 0.00 0.00 176.35 175.24 3dmm s THR 88 N 0.58 1.89 -0.40 3.68 -4.23 -0.61 -1.56 115.64 114.99 3dmm s THR 88 Ca 0.12 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 3dmm s THR 88 Cb -0.12 -1.57 0.01 0.00 1.34 0.00 0.00 72.50 72.16 3dmm s THR 88 CO 0.02 0.53 0.49 -0.76 -0.54 0.00 0.00 174.62 174.36 3dmm s LEU 89 N -0.51 4.61 0.14 4.79 1.02 0.81 -1.11 118.68 128.43 3dmm s LEU 89 Ca 0.08 -0.39 -0.18 0.00 0.02 0.00 0.00 54.13 53.66 3dmm s LEU 89 Cb -0.10 -2.50 0.02 0.00 0.02 0.00 0.00 46.19 43.64 3dmm s LEU 89 CO -0.00 -0.57 1.71 0.78 0.02 0.00 0.00 176.35 178.28 3dmm h ASN 90 N 8.66 -0.15 -2.75 2.29 -0.26 -1.78 -2.49 115.58 119.10 3dmm h ASN 90 Ca -0.27 0.07 -0.21 0.00 -0.56 0.00 0.00 56.30 55.33 3dmm h ASN 90 Cb 1.11 0.13 -0.32 0.00 -1.06 0.00 0.00 38.32 38.18 3dmm h ASN 90 CO 0.80 -0.04 -0.53 -0.54 -1.06 0.00 0.00 177.43 176.06 3dmm s LYS 91 N -6.19 0.17 0.62 0.81 1.02 -1.25 -4.06 119.74 110.86 3dmm s LYS 91 Ca -0.13 0.71 -0.18 0.00 0.02 0.00 0.00 55.97 56.38 3dmm s LYS 91 Cb 0.12 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 3dmm s LYS 91 CO 0.70 -0.34 1.04 0.34 -0.92 0.00 0.00 175.35 176.17 3dmm n PHE 92 N 5.35 1.06 -3.67 3.18 7.35 -0.42 -4.74 117.46 125.57 3dmm n PHE 92 Ca -0.06 0.43 -0.00 0.00 -0.76 0.00 0.00 57.45 57.05 3dmm n PHE 92 Cb 0.50 -2.16 -0.01 0.00 0.35 0.00 0.00 39.48 38.16 3dmm n PHE 92 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3dmm s SER 93 N -1.31 -0.10 0.44 -2.13 1.04 -1.26 -1.89 113.70 108.49 3dmm s SER 93 Ca 0.78 -0.24 0.20 0.00 0.48 0.00 0.00 55.95 57.17 3dmm s SER 93 Cb -0.40 0.28 1.15 0.00 0.10 0.00 0.00 66.02 67.16 3dmm s SER 93 CO 0.45 -0.52 1.88 0.50 0.98 0.00 0.00 173.24 176.53 3dmm h LYS 94 N 2.00 0.31 0.24 4.02 1.63 -1.96 -0.54 116.57 122.28 3dmm h LYS 94 Ca -0.28 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 3dmm h LYS 94 Cb 1.21 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3dmm h LYS 94 CO 0.27 0.21 -0.12 0.93 -3.45 0.00 0.00 179.45 177.30 3dmm h GLU 95 N 0.32 -0.31 -0.08 1.90 5.08 -1.98 -3.09 114.58 116.43 3dmm h GLU 95 Ca 0.43 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3dmm h GLU 95 Cb 1.18 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dmm h GLU 95 CO -0.13 -0.00 0.09 -0.91 -1.00 0.00 0.00 179.01 177.06 3dmm h ASN 96 N -0.64 0.00 -1.66 1.42 4.21 -1.51 -3.43 115.58 113.98 3dmm h ASN 96 Ca -0.03 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.95 3dmm h ASN 96 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 3dmm h ASN 96 CO 0.05 0.00 1.58 1.21 -1.29 0.00 0.00 177.43 178.98 3dmm n GLU 97 N -3.77 1.35 -2.43 0.81 2.13 -0.58 -4.83 120.64 113.33 3dmm n GLU 97 Ca -0.01 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3dmm n GLU 97 Cb 0.19 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 28.66 3dmm n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dmm n GLY 98 N 5.98 0.66 3.73 8.31 0.00 -0.97 -0.12 105.19 122.78 3dmm n GLY 98 Ca 0.36 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3dmm n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmm s TYR 99 N -3.30 3.30 0.31 1.61 2.02 0.18 -1.45 117.35 120.03 3dmm s TYR 99 Ca 0.09 0.27 0.08 0.00 -0.37 0.00 0.00 57.07 57.14 3dmm s TYR 99 Cb -0.00 -1.87 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 3dmm s TYR 99 CO 0.00 0.51 -0.07 0.71 -1.57 0.00 0.00 175.55 175.13 3dmm s TYR 100 N -0.76 2.15 0.00 2.71 1.51 0.82 -0.38 117.35 123.40 3dmm s TYR 100 Ca 0.12 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3dmm s TYR 100 Cb -0.12 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 3dmm s TYR 100 CO 0.03 0.39 0.00 1.97 -1.11 0.00 0.00 175.55 176.83 3dmm n PHE 101 N -0.68 0.00 -3.79 2.71 -1.74 -1.07 0.57 117.46 113.46 3dmm n PHE 101 Ca -0.05 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.63 3dmm n PHE 101 Cb 0.64 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.60 3dmm n PHE 101 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3dmm s SER 103 N -4.01 -0.44 0.09 0.00 1.04 -0.14 -2.38 113.70 107.86 3dmm s SER 103 Ca 0.42 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 3dmm s SER 103 Cb -0.05 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3dmm s SER 103 CO 0.27 -0.78 0.00 0.68 0.98 0.00 0.00 173.24 174.39 3dmm s VAL 104 N -2.81 0.23 -0.08 5.02 -7.23 -0.76 -1.50 120.40 113.27 3dmm s VAL 104 Ca -0.03 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3dmm s VAL 104 Cb -0.00 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3dmm s VAL 104 CO -0.05 -0.74 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.18 3dmm s ILE 105 N -3.94 1.67 -0.31 -0.62 1.01 -1.26 -0.86 121.20 116.89 3dmm s ILE 105 Ca 0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3dmm s ILE 105 Cb 0.07 -1.46 0.10 0.00 0.01 0.00 0.00 42.46 41.19 3dmm s ILE 105 CO -0.04 0.47 0.13 -0.55 0.00 0.00 0.00 174.94 174.95 3dmm s SER 106 N 0.38 3.68 -0.59 3.58 0.15 -0.02 -4.45 113.70 116.43 3dmm s SER 106 Ca -0.15 -1.55 -0.01 0.00 0.70 0.00 0.00 55.95 54.94 3dmm s SER 106 Cb -0.16 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 3dmm s SER 106 CO 0.06 -0.41 0.57 0.59 1.20 0.00 0.00 173.24 175.25 3dmm n ASN 107 N 4.93 -6.82 -0.92 5.45 3.02 -1.26 -3.25 115.26 116.40 3dmm n ASN 107 Ca -0.02 -0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.41 3dmm n ASN 107 Cb 0.41 -4.58 -0.04 0.00 -0.61 0.00 0.00 39.78 34.96 3dmm n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3dmm n SER 108 N -1.54 -4.05 -4.16 6.41 7.64 -1.26 -4.92 113.62 111.74 3dmm n SER 108 Ca 0.01 0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.84 3dmm n SER 108 Cb 0.49 -3.26 -0.17 0.00 -1.01 0.00 0.00 64.21 60.27 3dmm n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dmm s VAL 109 N -1.71 1.66 -0.19 0.44 1.01 -1.20 -5.12 120.40 115.29 3dmm s VAL 109 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3dmm s VAL 109 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3dmm s VAL 109 CO 0.00 0.47 0.05 -0.32 0.00 0.00 0.00 175.10 175.31 3dmm s MET 110 N 0.25 3.87 0.08 2.72 1.75 -1.26 -0.84 119.30 125.87 3dmm s MET 110 Ca -0.11 -0.40 0.06 0.00 -1.25 0.00 0.00 55.69 54.00 3dmm s MET 110 Cb -0.15 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3dmm s MET 110 CO 0.05 0.16 -0.11 0.71 -0.65 0.00 0.00 175.02 175.19 3dmm s TYR 111 N 0.66 2.74 0.24 4.11 2.02 -0.04 -4.99 117.35 122.09 3dmm s TYR 111 Ca 0.03 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3dmm s TYR 111 Cb -0.13 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3dmm s TYR 111 CO 0.02 0.39 0.02 -0.06 -1.57 0.00 0.00 175.55 174.35 3dmm s PHE 112 N -1.13 1.55 0.41 2.71 0.40 -1.26 -1.82 117.98 118.84 3dmm s PHE 112 Ca 0.20 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.61 3dmm s PHE 112 Cb -0.11 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 3dmm s PHE 112 CO 0.11 -0.11 0.27 -1.54 0.70 0.00 0.00 175.22 174.65 3dmm s SER 113 N -3.31 4.72 1.25 1.36 1.04 -1.00 -4.15 113.70 113.61 3dmm s SER 113 Ca 0.30 -0.91 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 3dmm s SER 113 Cb 0.06 -0.54 0.30 0.00 0.10 0.00 0.00 66.02 65.95 3dmm s SER 113 CO 0.10 -0.58 0.86 -1.20 0.98 0.00 0.00 173.24 173.40 3dmm n SER 114 N -1.37 -2.48 -4.42 7.02 7.64 -1.26 -4.74 113.62 114.01 3dmm n SER 114 Ca 0.01 -0.35 -0.41 0.00 1.01 0.00 0.00 58.87 59.12 3dmm n SER 114 Cb 0.63 -1.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.57 3dmm n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dmm s VAL 115 N -2.30 4.82 -0.09 0.44 1.01 -1.26 -4.48 120.40 118.53 3dmm s VAL 115 Ca 0.67 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 3dmm s VAL 115 Cb -0.21 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3dmm s VAL 115 CO 0.63 -0.21 0.77 -0.69 0.00 0.00 0.00 175.10 175.61 3dmm s VAL 116 N 1.61 4.97 -0.21 2.92 1.01 0.19 -4.84 120.40 126.06 3dmm s VAL 116 Ca 0.03 1.57 -0.20 0.00 0.00 0.00 0.00 61.98 63.38 3dmm s VAL 116 Cb -0.19 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3dmm s VAL 116 CO 0.08 0.17 0.61 -2.84 0.00 0.00 0.00 175.10 173.12 3dmm s PRO 117 N 1.28 4.19 -0.63 2.72 0.02 -1.26 -0.13 135.00 141.19 3dmm s PRO 117 Ca 0.39 0.57 0.05 0.00 0.02 0.00 0.00 61.00 62.03 3dmm s PRO 117 Cb -0.18 -3.59 0.15 0.00 0.02 0.00 0.00 34.50 30.91 3dmm s PRO 117 CO 0.17 -0.26 0.40 0.08 -0.33 0.00 0.00 177.00 177.06 3dmm s VAL 118 N 1.99 2.77 0.34 3.83 1.01 -0.53 -0.17 120.40 129.64 3dmm s VAL 118 Ca 0.27 -3.90 0.10 0.00 0.00 0.00 0.00 61.98 58.45 3dmm s VAL 118 Cb -0.16 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 3dmm s VAL 118 CO 0.10 -0.92 -0.07 -0.76 0.00 0.00 0.00 175.10 173.45 3dmm s LEU 119 N -0.99 2.80 0.04 3.92 1.02 -0.82 -2.29 118.68 122.36 3dmm s LEU 119 Ca 0.22 -1.12 -0.12 0.00 0.02 0.00 0.00 54.13 53.13 3dmm s LEU 119 Cb -0.13 -1.12 -0.06 0.00 0.02 0.00 0.00 46.19 44.90 3dmm s LEU 119 CO -0.10 -0.19 0.40 -1.58 0.02 0.00 0.00 176.35 174.90 3dmm s GLN 120 N -3.63 3.83 0.00 1.70 0.74 -1.24 -2.86 119.66 118.19 3dmm s GLN 120 Ca 0.33 0.28 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3dmm s GLN 120 Cb 0.01 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.02 3dmm s GLN 120 CO 0.17 0.62 0.00 1.17 -0.55 0.00 0.00 175.29 176.71