#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhm s SER 2 N 0.00 5.76 -0.91 1.61 0.01 -1.26 -4.90 113.70 114.00 2dhm s SER 2 Ca 0.00 -1.49 -0.19 0.00 1.31 0.00 0.00 55.95 55.58 2dhm s SER 2 Cb 0.00 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.78 2dhm s SER 2 CO 0.00 -2.25 1.11 -0.44 0.41 0.00 0.00 173.24 172.07 2dhm s SER 3 N 6.15 6.60 0.00 2.44 0.01 -1.26 -4.74 113.70 122.90 2dhm s SER 3 Ca 0.61 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2dhm s SER 3 Cb -0.01 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2dhm s SER 3 CO 0.03 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.21 2dhm n GLY 4 N 5.48 -0.53 3.15 3.44 0.00 -1.26 -5.02 105.19 110.45 2dhm n GLY 4 Ca 0.22 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2dhm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhm n SER 5 N 0.00 5.79 -3.56 1.61 2.88 -1.26 -4.92 113.62 114.17 2dhm n SER 5 Ca 0.00 -3.19 -0.14 0.00 -1.33 0.00 0.00 58.87 54.20 2dhm n SER 5 Cb 0.00 -1.37 -0.12 0.00 -0.75 0.00 0.00 64.21 61.96 2dhm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dhm s SER 6 N 0.18 0.67 0.00 -3.46 0.01 -1.26 -4.93 113.70 104.91 2dhm s SER 6 Ca 0.34 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2dhm s SER 6 Cb -0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 2dhm s SER 6 CO 0.02 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dhm n GLY 7 N 5.34 4.08 2.33 3.44 0.00 -1.26 -4.95 105.19 114.16 2dhm n GLY 7 Ca -0.06 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2dhm n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dhm n MET 8 N 0.00 3.07 0.43 1.61 -0.00 -1.26 -4.76 117.12 116.21 2dhm n MET 8 Ca 0.00 -3.72 -0.17 0.00 -0.00 0.00 0.00 57.70 53.81 2dhm n MET 8 Cb 0.00 -2.28 -0.08 0.00 -0.00 0.00 0.00 33.22 30.86 2dhm n MET 8 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2dhm h MET 9 N 2.25 -1.07 -0.00 3.17 2.86 -1.92 -3.04 114.93 117.17 2dhm h MET 9 Ca 0.50 0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 58.12 2dhm h MET 9 Cb 0.94 0.24 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2dhm h MET 9 CO 1.24 -0.72 -0.33 0.82 1.06 0.00 0.00 176.91 178.98 2dhm h ILE 10 N -1.27 1.51 -0.82 -1.22 1.08 -2.00 -3.24 117.51 111.56 2dhm h ILE 10 Ca -0.11 -1.97 0.09 0.00 -0.39 0.00 0.00 64.86 62.48 2dhm h ILE 10 Cb 0.85 2.71 -0.11 0.00 -3.07 0.00 0.00 36.82 37.20 2dhm h ILE 10 CO 0.19 0.55 -0.43 -1.14 -0.69 0.00 0.00 178.15 176.62 2dhm n ARG 11 N -4.44 -0.31 0.02 2.37 0.63 -1.25 0.19 116.66 113.88 2dhm n ARG 11 Ca -0.10 1.25 -0.11 0.00 -0.92 0.00 0.00 57.85 57.97 2dhm n ARG 11 Cb 0.54 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.56 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dhm h GLU 12 N 0.00 -0.07 -0.64 -0.14 4.39 -1.65 -2.29 114.58 114.19 2dhm h GLU 12 Ca 0.18 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.01 2dhm h GLU 12 Cb 0.39 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 2dhm h GLU 12 CO -0.79 -0.05 0.13 0.00 -1.16 0.00 0.00 179.01 177.15 2dhm h ARG 13 N -0.07 0.24 0.00 2.33 3.08 -0.28 0.49 114.38 120.17 2dhm h ARG 13 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2dhm h ARG 13 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2dhm h ARG 13 CO -0.09 0.16 0.00 -0.89 -1.07 0.00 0.00 179.97 178.08 2dhm n ILE 14 N -5.15 0.00 0.00 2.04 5.41 0.74 -2.73 119.36 119.66 2dhm n ILE 14 Ca 0.10 1.44 -0.12 0.00 1.00 0.00 0.00 62.75 65.18 2dhm n ILE 14 Cb 0.36 -2.40 -0.06 0.00 -0.71 0.00 0.00 39.64 36.84 2dhm n ILE 14 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhm h GLU 15 N 0.00 -0.46 -0.82 0.38 5.08 -1.30 -0.68 114.58 116.79 2dhm h GLU 15 Ca 0.00 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 58.71 2dhm h GLU 15 Cb 0.00 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.24 2dhm h GLU 15 CO 0.00 -0.31 0.48 0.39 -1.00 0.00 0.00 179.01 178.57 2dhm n GLU 16 N -5.43 -0.04 0.06 2.33 -0.58 0.17 0.75 120.64 117.91 2dhm n GLU 16 Ca -0.04 0.96 -0.09 0.00 -0.42 0.00 0.00 57.16 57.57 2dhm n GLU 16 Cb 0.36 -1.79 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dhm h LYS 17 N 0.00 -0.24 -0.77 3.49 1.79 -0.93 -3.31 116.57 116.60 2dhm h LYS 17 Ca 0.62 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.25 2dhm h LYS 17 Cb 1.77 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 32.38 2dhm h LYS 17 CO -0.48 0.12 0.34 -0.07 -1.08 0.00 0.00 179.45 178.28 2dhm h LEU 18 N -0.95 0.35 -0.92 2.94 3.38 0.64 0.46 115.31 121.21 2dhm h LEU 18 Ca -0.03 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2dhm h LEU 18 Cb 0.47 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.13 2dhm h LEU 18 CO 0.04 0.14 -0.35 0.54 0.09 0.00 0.00 178.44 178.90 2dhm n ARG 19 N -4.96 -0.21 0.04 1.13 5.12 0.65 -0.33 116.66 118.09 2dhm n ARG 19 Ca 0.15 1.42 0.01 0.00 -1.93 0.00 0.00 57.85 57.50 2dhm n ARG 19 Cb 0.41 -2.11 -0.08 0.00 -1.16 0.00 0.00 32.46 29.53 2dhm n ARG 19 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dhm n ALA 20 N -3.52 2.00 0.22 7.54 0.00 -0.79 -2.11 120.51 123.85 2dhm n ALA 20 Ca 0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 2dhm n ALA 20 Cb 0.37 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 2dhm n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhm h ALA 21 N 1.49 -1.09 0.00 0.00 0.00 0.29 -3.38 119.26 116.56 2dhm h ALA 21 Ca -0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2dhm h ALA 21 Cb 1.52 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 2dhm h ALA 21 CO 0.04 -1.17 -1.39 1.19 0.00 0.00 0.00 179.25 177.93 2dhm n PHE 22 N -5.54 0.00 -2.43 0.00 3.72 -0.31 -5.04 117.46 107.85 2dhm n PHE 22 Ca -0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.24 2dhm n PHE 22 Cb 0.45 -0.26 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 2dhm n PHE 22 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2dhm n GLN 23 N -2.67 -2.05 0.00 -1.08 6.02 -0.90 -5.06 117.38 111.65 2dhm n GLN 23 Ca -0.12 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2dhm n GLN 23 Cb 0.63 -3.56 0.00 0.00 1.02 0.00 0.00 30.24 28.33 2dhm n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2dhm n PRO 24 N -2.08 -0.45 -0.12 -1.09 -0.04 -1.26 -5.03 135.00 124.93 2dhm n PRO 24 Ca -0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 2dhm n PRO 24 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 2dhm n PRO 24 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dhm n VAL 25 N -1.95 1.53 -4.09 0.52 3.14 -1.09 -4.98 118.33 111.42 2dhm n VAL 25 Ca 0.00 -0.49 -0.28 0.00 -2.96 0.00 0.00 64.34 60.61 2dhm n VAL 25 Cb 0.00 -1.64 -0.06 0.00 -1.06 0.00 0.00 33.84 31.08 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2dhm s PHE 26 N -2.51 3.11 -0.28 1.45 5.36 -1.23 -5.00 117.98 118.88 2dhm s PHE 26 Ca -0.35 0.01 -0.17 0.00 -0.96 0.00 0.00 56.93 55.46 2dhm s PHE 26 Cb 0.11 -1.55 0.08 0.00 -0.34 0.00 0.00 43.02 41.32 2dhm s PHE 26 CO 0.57 0.51 0.71 -1.17 -1.46 0.00 0.00 175.22 174.39 2dhm s LEU 27 N -2.69 -0.90 -0.13 6.12 2.96 -1.26 -3.33 118.68 119.46 2dhm s LEU 27 Ca 0.29 1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 55.37 2dhm s LEU 27 Cb -0.11 2.36 0.11 0.00 0.50 0.00 0.00 46.19 49.05 2dhm s LEU 27 CO 0.22 -0.23 0.91 -0.70 -1.32 0.00 0.00 176.35 175.22 2dhm s GLU 28 N 1.46 0.72 0.01 1.98 -6.30 -0.70 -5.00 118.70 110.88 2dhm s GLU 28 Ca -0.09 0.18 -0.00 0.00 -2.50 0.00 0.00 54.97 52.56 2dhm s GLU 28 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 34.13 34.41 2dhm s GLU 28 CO -0.17 -0.22 -0.01 0.08 0.02 0.00 0.00 175.26 174.96 2dhm s VAL 29 N -1.12 0.06 -0.54 3.70 1.01 -1.26 -0.33 120.40 121.92 2dhm s VAL 29 Ca -0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2dhm s VAL 29 Cb -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 36.38 36.36 2dhm s VAL 29 CO 0.04 -0.26 0.35 -0.69 0.00 0.00 0.00 175.10 174.54 2dhm s VAL 30 N -0.77 3.64 0.17 2.92 1.01 0.63 -5.00 120.40 123.01 2dhm s VAL 30 Ca -0.08 -2.51 -0.24 0.00 0.00 0.00 0.00 61.98 59.15 2dhm s VAL 30 Cb -0.05 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 2dhm s VAL 30 CO -0.00 -0.80 0.75 -0.62 0.00 0.00 0.00 175.10 174.43 2dhm s ASP 31 N 1.32 7.29 -0.64 3.32 2.15 -1.26 -3.26 116.67 125.59 2dhm s ASP 31 Ca 0.13 1.57 -0.05 0.00 0.43 0.00 0.00 52.55 54.62 2dhm s ASP 31 Cb -0.21 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2dhm s ASP 31 CO -0.04 0.17 2.96 -1.84 -0.17 0.00 0.00 175.17 176.25 2dhm n GLU 32 N 1.39 2.88 -1.95 4.34 0.00 -1.24 -4.95 120.64 121.10 2dhm n GLU 32 Ca -0.05 -2.17 -0.42 0.00 0.00 0.00 0.00 57.16 54.52 2dhm n GLU 32 Cb 0.49 -2.28 -0.03 0.00 0.00 0.00 0.00 31.44 29.63 2dhm n GLU 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dhm s SER 33 N 1.03 6.61 0.34 -1.84 0.15 -1.26 -4.88 113.70 113.85 2dhm s SER 33 Ca 0.62 2.52 0.08 0.00 0.70 0.00 0.00 55.95 59.86 2dhm s SER 33 Cb 0.30 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.81 2dhm s SER 33 CO -0.12 -0.85 1.85 0.10 1.20 0.00 0.00 173.24 175.43 2dhm h TYR 34 N 7.63 0.90 -1.03 3.44 -0.00 -1.96 -1.10 116.97 124.84 2dhm h TYR 34 Ca -0.42 0.03 0.35 0.00 -0.00 0.00 0.00 58.73 58.69 2dhm h TYR 34 Cb 1.20 -0.28 -0.15 0.00 -0.00 0.00 0.00 36.73 37.50 2dhm h TYR 34 CO 0.72 0.31 0.59 0.07 -0.00 0.00 0.00 178.16 179.86 2dhm h ARG 35 N 0.74 0.22 -6.73 0.10 0.11 -1.98 -3.41 114.38 103.44 2dhm h ARG 35 Ca 0.47 -0.01 -0.56 0.00 0.10 0.00 0.00 59.98 59.98 2dhm h ARG 35 Cb 0.72 -0.05 0.10 0.00 1.11 0.00 0.00 29.97 31.85 2dhm h ARG 35 CO -0.24 0.15 0.63 0.72 0.10 0.00 0.00 179.97 181.34 2dhm n HIS 36 N -5.05 2.42 -1.84 4.08 8.25 -0.42 -4.81 115.22 117.85 2dhm n HIS 36 Ca 0.34 0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 57.96 2dhm n HIS 36 Cb 1.09 -2.47 -0.07 0.00 1.12 0.00 0.00 29.99 29.66 2dhm n HIS 36 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2dhm n ASN 37 N 1.39 2.72 -4.27 0.41 5.15 -1.26 -4.88 115.26 114.53 2dhm n ASN 37 Ca 0.07 -2.66 -0.24 0.00 -0.60 0.00 0.00 54.58 51.14 2dhm n ASN 37 Cb 0.35 -1.63 -0.13 0.00 -0.53 0.00 0.00 39.78 37.84 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2dhm s VAL 38 N 11.03 1.67 1.00 3.44 -7.23 -1.26 -5.15 120.40 123.90 2dhm s VAL 38 Ca 0.69 -1.39 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 2dhm s VAL 38 Cb 0.01 -1.50 0.25 0.00 0.56 0.00 0.00 36.38 35.70 2dhm s VAL 38 CO 0.15 0.05 0.89 -0.81 -0.31 0.00 0.00 175.10 175.06 2dhm n PRO 39 N 1.41 -2.76 -1.55 4.82 -0.04 -1.26 -4.81 135.00 130.81 2dhm n PRO 39 Ca -0.19 -1.42 -0.27 0.00 -0.04 0.00 0.00 63.50 61.58 2dhm n PRO 39 Cb 0.53 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2dhm n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm n ALA 40 N -4.53 0.60 -2.00 0.55 0.00 -1.26 -4.40 120.51 109.47 2dhm n ALA 40 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.23 2dhm n ALA 40 Cb 0.48 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2dhm n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dhm n GLY 41 N 6.31 -0.25 3.74 0.00 0.00 -1.26 -5.04 105.19 108.69 2dhm n GLY 41 Ca 0.45 0.55 -0.24 0.00 0.00 0.00 0.00 46.02 46.79 2dhm n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhm n SER 42 N 0.00 -2.34 -4.41 1.61 7.64 -1.26 -4.98 113.62 109.88 2dhm n SER 42 Ca 0.00 -0.79 -0.32 0.00 1.01 0.00 0.00 58.87 58.77 2dhm n SER 42 Cb 0.00 -4.09 -0.14 0.00 -1.01 0.00 0.00 64.21 58.97 2dhm n SER 42 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dhm s GLU 43 N -6.14 2.35 -1.27 1.43 1.03 -1.26 -4.70 118.70 110.15 2dhm s GLU 43 Ca 0.20 -0.79 -0.11 0.00 0.03 0.00 0.00 54.97 54.30 2dhm s GLU 43 Cb -0.10 -2.24 0.11 0.00 -0.80 0.00 0.00 34.13 31.10 2dhm s GLU 43 CO 0.81 0.59 0.27 -1.13 -1.33 0.00 0.00 175.26 174.47 2dhm n SER 44 N 2.37 -0.54 -4.12 0.83 3.41 -1.26 -4.83 113.62 109.47 2dhm n SER 44 Ca -0.17 -0.91 -0.38 0.00 -0.26 0.00 0.00 58.87 57.15 2dhm n SER 44 Cb 0.52 -1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.23 2dhm n SER 44 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2dhm s HIS 45 N -3.16 3.45 -0.11 7.33 5.04 -1.26 -4.94 115.29 121.64 2dhm s HIS 45 Ca 0.37 -2.61 -0.07 0.00 -1.54 0.00 0.00 55.06 51.21 2dhm s HIS 45 Cb -0.22 -3.28 0.04 0.00 0.04 0.00 0.00 32.58 29.16 2dhm s HIS 45 CO 0.74 -0.86 0.26 0.12 -2.34 0.00 0.00 174.74 172.66 2dhm s PHE 46 N 0.02 -0.32 -0.02 3.88 5.36 -1.26 -3.66 117.98 121.98 2dhm s PHE 46 Ca 0.17 0.77 -0.09 0.00 -0.96 0.00 0.00 56.93 56.82 2dhm s PHE 46 Cb -0.19 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 2dhm s PHE 46 CO -0.04 -0.19 0.20 0.21 -1.46 0.00 0.00 175.22 173.93 2dhm s LYS 47 N 0.69 0.50 -0.02 10.12 2.20 -1.20 -2.51 119.74 129.52 2dhm s LYS 47 Ca -0.05 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2dhm s LYS 47 Cb -0.06 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2dhm s LYS 47 CO -0.04 -0.12 -0.01 0.08 -0.36 0.00 0.00 175.35 174.90 2dhm s VAL 48 N -1.13 0.19 -0.18 4.02 1.01 -1.16 -0.27 120.40 122.89 2dhm s VAL 48 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2dhm s VAL 48 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 2dhm s VAL 48 CO 0.02 0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.40 2dhm s VAL 49 N 0.46 2.81 -0.20 2.92 1.01 0.55 -1.90 120.40 126.05 2dhm s VAL 49 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2dhm s VAL 49 Cb -0.07 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.16 2dhm s VAL 49 CO -0.01 0.49 0.09 -0.22 0.00 0.00 0.00 175.10 175.45 2dhm s LEU 50 N 1.06 0.60 -0.17 3.92 0.20 -1.23 -1.71 118.68 121.35 2dhm s LEU 50 Ca -0.00 -0.80 -0.19 0.00 0.69 0.00 0.00 54.13 53.82 2dhm s LEU 50 Cb -0.15 -0.35 -0.03 0.00 -0.43 0.00 0.00 46.19 45.23 2dhm s LEU 50 CO -0.03 -0.36 0.54 -0.69 -0.29 0.00 0.00 176.35 175.52 2dhm s VAL 51 N 2.06 5.11 0.07 1.68 1.01 -1.21 -3.61 120.40 125.51 2dhm s VAL 51 Ca 0.03 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 2dhm s VAL 51 Cb -0.16 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2dhm s VAL 51 CO -0.14 0.21 0.34 -0.55 0.00 0.00 0.00 175.10 174.96 2dhm s SER 52 N 1.01 -0.17 0.05 3.32 0.15 -1.10 -2.67 113.70 114.30 2dhm s SER 52 Ca 0.26 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.62 2dhm s SER 52 Cb -0.16 0.40 -0.30 0.00 -1.71 0.00 0.00 66.02 64.26 2dhm s SER 52 CO 0.10 -0.70 1.05 -2.24 1.20 0.00 0.00 173.24 172.66 2dhm h ASP 53 N 2.89 0.50 -1.73 5.45 2.03 -1.97 -3.31 116.42 120.28 2dhm h ASP 53 Ca -0.32 -0.56 0.51 0.00 -0.73 0.00 0.00 57.03 55.92 2dhm h ASP 53 Cb 1.21 -0.16 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 2dhm h ASP 53 CO 0.47 1.45 1.24 0.54 -1.03 0.00 0.00 179.24 181.90 2dhm n ARG 54 N -3.55 -0.00 -0.93 4.15 5.12 -1.26 0.16 116.66 120.35 2dhm n ARG 54 Ca -0.12 0.99 -0.18 0.00 -1.93 0.00 0.00 57.85 56.61 2dhm n ARG 54 Cb 1.04 -2.25 0.04 0.00 -1.16 0.00 0.00 32.46 30.14 2dhm n ARG 54 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dhm n PHE 55 N -3.80 1.69 -0.08 -1.55 3.72 -1.25 -4.20 117.46 111.99 2dhm n PHE 55 Ca 0.40 -2.05 -0.23 0.00 -0.05 0.00 0.00 57.45 55.53 2dhm n PHE 55 Cb 1.78 -0.99 -0.12 0.00 -0.94 0.00 0.00 39.48 39.21 2dhm n PHE 55 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2dhm n THR 56 N 0.22 1.60 -2.71 4.37 5.66 0.43 -4.70 114.28 119.15 2dhm n THR 56 Ca 0.33 -0.36 0.01 0.00 -3.05 0.00 0.00 64.05 60.98 2dhm n THR 56 Cb 0.60 -1.83 0.04 0.00 -1.55 0.00 0.00 70.33 67.58 2dhm n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dhm n GLY 57 N 1.68 1.49 3.99 1.09 0.00 -1.26 -5.11 105.19 107.08 2dhm n GLY 57 Ca -0.38 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 2dhm n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dhm s GLU 58 N -2.40 2.14 1.21 1.61 0.41 -1.26 -5.08 118.70 115.33 2dhm s GLU 58 Ca 0.30 -1.10 -0.18 0.00 -0.41 0.00 0.00 54.97 53.57 2dhm s GLU 58 Cb 0.35 -2.47 0.25 0.00 -1.78 0.00 0.00 34.13 30.48 2dhm s GLU 58 CO -0.09 -1.03 0.55 0.54 -0.49 0.00 0.00 175.26 174.74 2dhm n ARG 59 N -2.51 -3.13 0.06 1.61 3.00 -1.26 -4.89 116.66 109.53 2dhm n ARG 59 Ca 0.12 -0.92 -0.21 0.00 -0.01 0.00 0.00 57.85 56.84 2dhm n ARG 59 Cb 0.60 -1.74 -0.15 0.00 0.00 0.00 0.00 32.46 31.18 2dhm n ARG 59 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2dhm h PHE 60 N -2.95 0.59 0.01 -1.55 3.57 -2.01 -3.31 116.94 111.28 2dhm h PHE 60 Ca -0.39 -0.43 -0.20 0.00 3.53 0.00 0.00 57.97 60.48 2dhm h PHE 60 Cb 1.12 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2dhm h PHE 60 CO -2.47 1.59 -1.07 -0.07 -2.23 0.00 0.00 178.31 174.06 2dhm h LEU 61 N 0.09 0.02 -0.80 0.59 3.38 -2.02 -3.38 115.31 113.19 2dhm h LEU 61 Ca -0.33 -0.61 0.18 0.00 0.09 0.00 0.00 57.88 57.21 2dhm h LEU 61 Cb 2.07 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 42.67 2dhm h LEU 61 CO 0.16 1.42 -0.07 -1.13 0.09 0.00 0.00 178.44 178.91 2dhm h ASN 62 N -0.96 -0.52 -1.17 -0.43 -1.24 -1.96 0.32 115.58 109.62 2dhm h ASN 62 Ca -0.29 0.22 0.43 0.00 0.71 0.00 0.00 56.30 57.37 2dhm h ASN 62 Cb 1.28 0.42 -0.14 0.00 0.73 0.00 0.00 38.32 40.62 2dhm h ASN 62 CO -0.16 -0.23 0.72 -2.11 -1.29 0.00 0.00 177.43 174.36 2dhm n ARG 63 N -5.43 -0.04 -0.10 6.67 -4.01 -1.25 -1.11 116.66 111.39 2dhm n ARG 63 Ca 0.14 1.19 -0.18 0.00 -1.04 0.00 0.00 57.85 57.97 2dhm n ARG 63 Cb 0.48 -2.28 -0.08 0.00 -3.04 0.00 0.00 32.46 27.54 2dhm n ARG 63 CO 0.00 0.00 0.00 -2.39 -3.04 0.00 0.00 177.63 172.20 2dhm n HIS 64 N -4.71 0.76 -0.37 2.89 1.44 0.10 -4.40 115.22 110.93 2dhm n HIS 64 Ca 0.37 0.33 -0.10 0.00 -2.01 0.00 0.00 57.72 56.31 2dhm n HIS 64 Cb 1.37 -0.95 -0.09 0.00 0.12 0.00 0.00 29.99 30.44 2dhm n HIS 64 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dhm n ARG 65 N -4.46 -0.39 -0.31 -1.40 1.74 -0.26 0.35 116.66 111.93 2dhm n ARG 65 Ca -0.28 1.36 0.08 0.00 -0.77 0.00 0.00 57.85 58.25 2dhm n ARG 65 Cb 0.59 -2.00 0.18 0.00 -1.02 0.00 0.00 32.46 30.20 2dhm n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dhm n MET 66 N -5.09 -0.08 0.30 5.56 2.81 -0.37 -0.17 117.12 120.08 2dhm n MET 66 Ca 0.02 1.36 -0.17 0.00 -1.81 0.00 0.00 57.70 57.10 2dhm n MET 66 Cb 0.23 -2.08 -0.09 0.00 -0.71 0.00 0.00 33.22 30.57 2dhm n MET 66 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2dhm h ILE 67 N 0.00 0.16 0.09 2.02 1.08 -0.31 -2.93 117.51 117.62 2dhm h ILE 67 Ca 0.47 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.96 2dhm h ILE 67 Cb 0.83 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2dhm h ILE 67 CO -0.88 0.00 -0.36 1.88 -0.69 0.00 0.00 178.15 178.09 2dhm h TYR 68 N -0.91 -1.01 -0.87 1.37 0.05 -0.26 -1.63 116.97 113.71 2dhm h TYR 68 Ca -0.05 0.03 0.35 0.00 0.05 0.00 0.00 58.73 59.10 2dhm h TYR 68 Cb 0.78 0.43 -0.16 0.00 1.01 0.00 0.00 36.73 38.80 2dhm h TYR 68 CO -0.18 -0.46 0.41 0.45 -1.05 0.00 0.00 178.16 177.32 2dhm n SER 69 N -5.44 0.25 0.19 3.88 2.88 0.14 0.23 113.62 115.75 2dhm n SER 69 Ca -0.06 1.44 -0.15 0.00 -1.33 0.00 0.00 58.87 58.76 2dhm n SER 69 Cb 0.35 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 2dhm n SER 69 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dhm h THR 70 N 0.00 0.18 -1.03 2.46 2.02 -1.11 -3.28 112.91 112.17 2dhm h THR 70 Ca 0.71 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 67.40 2dhm h THR 70 Cb 1.83 0.18 -0.42 0.00 -1.74 0.00 0.00 68.15 68.01 2dhm h THR 70 CO -0.69 0.00 -0.89 0.00 0.37 0.00 0.00 175.52 174.31 2dhm n LEU 71 N -5.48 3.82 0.08 2.58 -0.00 0.15 -4.82 117.00 113.33 2dhm n LEU 71 Ca -0.09 -4.51 -0.01 0.00 -0.00 0.00 0.00 56.01 51.40 2dhm n LEU 71 Cb 0.39 -0.14 0.26 0.00 -0.00 0.00 0.00 43.42 43.92 2dhm n LEU 71 CO 0.24 1.92 0.72 0.00 -0.00 0.00 0.00 177.39 180.27 2dhm h ALA 72 N 2.52 1.19 0.03 1.47 0.00 0.29 -1.91 119.26 122.85 2dhm h ALA 72 Ca 0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2dhm h ALA 72 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2dhm h ALA 72 CO 0.67 0.53 -1.18 1.49 0.00 0.00 0.00 179.25 180.75 2dhm h GLU 73 N 0.26 0.07 -0.48 0.00 4.81 -1.86 -3.33 114.58 114.04 2dhm h GLU 73 Ca 0.03 -0.12 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2dhm h GLU 73 Cb 0.68 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 2dhm h GLU 73 CO 0.05 1.06 0.08 0.93 -0.73 0.00 0.00 179.01 180.40 2dhm h GLU 74 N -0.77 0.21 0.00 1.92 5.08 -1.91 0.29 114.58 119.39 2dhm h GLU 74 Ca -0.30 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2dhm h GLU 74 Cb 1.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2dhm h GLU 74 CO -0.11 0.14 0.00 1.47 -1.00 0.00 0.00 179.01 179.51 2dhm n LEU 75 N -5.12 0.54 -1.32 1.33 -0.00 -0.72 -0.78 117.00 110.93 2dhm n LEU 75 Ca 0.05 0.73 0.07 0.00 -0.00 0.00 0.00 56.01 56.85 2dhm n LEU 75 Cb 0.24 -0.76 0.28 0.00 -0.00 0.00 0.00 43.42 43.17 2dhm n LEU 75 CO 0.20 -0.84 0.71 -1.20 -0.00 0.00 0.00 177.39 176.26 2dhm n SER 76 N -2.20 3.86 -0.10 1.45 7.64 0.10 -3.09 113.62 121.28 2dhm n SER 76 Ca -0.01 -2.40 -0.13 0.00 1.01 0.00 0.00 58.87 57.34 2dhm n SER 76 Cb 0.07 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 2dhm n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2dhm n THR 77 N 0.74 1.49 -0.04 0.44 -1.04 0.04 -4.86 114.28 111.05 2dhm n THR 77 Ca 0.20 0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 62.19 2dhm n THR 77 Cb 0.75 -2.24 -0.04 0.00 -1.82 0.00 0.00 70.33 66.98 2dhm n THR 77 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dhm n THR 78 N -4.45 0.48 -2.67 12.58 -1.04 -1.26 -5.03 114.28 112.89 2dhm n THR 78 Ca -0.22 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.05 61.28 2dhm n THR 78 Cb 0.56 -0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 68.24 2dhm n THR 78 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2dhm s VAL 79 N -2.17 4.70 0.01 12.58 1.01 -1.18 -5.02 120.40 130.34 2dhm s VAL 79 Ca -0.10 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2dhm s VAL 79 Cb 0.03 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2dhm s VAL 79 CO 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 175.10 174.68 2dhm n HIS 80 N -1.44 0.00 -4.45 5.22 -0.00 -1.26 -4.16 115.22 109.14 2dhm n HIS 80 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.52 2dhm n HIS 80 Cb 0.54 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 2dhm n HIS 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dhm s ALA 81 N -2.04 2.65 0.11 1.59 0.00 -1.26 -5.00 121.76 117.80 2dhm s ALA 81 Ca -0.02 -1.83 -0.25 0.00 0.00 0.00 0.00 51.96 49.86 2dhm s ALA 81 Cb 0.01 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 22.95 2dhm s ALA 81 CO 0.03 0.28 0.67 -1.17 0.00 0.00 0.00 175.76 175.57 2dhm s LEU 82 N -3.38 -0.54 -0.38 0.00 2.96 -1.26 -4.64 118.68 111.44 2dhm s LEU 82 Ca 0.28 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 2dhm s LEU 82 Cb -0.05 2.48 0.11 0.00 0.50 0.00 0.00 46.19 49.23 2dhm s LEU 82 CO 0.14 -0.86 0.13 0.00 -1.32 0.00 0.00 176.35 174.43 2dhm s ALA 83 N -3.36 2.54 -0.01 5.97 0.00 -1.04 -5.02 121.76 120.84 2dhm s ALA 83 Ca 0.01 -2.48 -0.30 0.00 0.00 0.00 0.00 51.96 49.19 2dhm s ALA 83 Cb -0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2dhm s ALA 83 CO -0.10 -1.80 1.21 -0.51 0.00 0.00 0.00 175.76 174.55 2dhm s LEU 84 N 0.77 4.32 -0.65 0.00 1.43 -1.26 -2.97 118.68 120.31 2dhm s LEU 84 Ca 0.13 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 2dhm s LEU 84 Cb -0.21 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.61 2dhm s LEU 84 CO -0.09 -0.54 0.45 -1.00 0.23 0.00 0.00 176.35 175.39 2dhm s HIS 85 N 1.76 3.30 -0.37 0.29 3.76 -0.80 -5.00 115.29 118.23 2dhm s HIS 85 Ca 0.57 -3.22 -0.24 0.00 -0.15 0.00 0.00 55.06 52.02 2dhm s HIS 85 Cb -0.27 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 30.86 2dhm s HIS 85 CO 0.25 -0.60 0.81 0.95 -0.85 0.00 0.00 174.74 175.31 2dhm s THR 86 N -1.15 4.69 0.28 1.30 -4.23 -1.26 -3.48 115.64 111.80 2dhm s THR 86 Ca 0.24 0.90 0.10 0.00 -1.18 0.00 0.00 61.69 61.76 2dhm s THR 86 Cb -0.07 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.47 2dhm s THR 86 CO -0.14 -0.48 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.10 2dhm s TYR 87 N 3.20 2.57 -0.07 3.99 1.51 -1.24 -5.02 117.35 122.29 2dhm s TYR 87 Ca 0.33 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.97 2dhm s TYR 87 Cb -0.13 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 2dhm s TYR 87 CO 0.18 0.62 0.32 0.95 -1.11 0.00 0.00 175.55 176.50 2dhm s THR 88 N -2.41 5.22 0.25 -0.71 -4.23 -1.26 -2.70 115.64 109.80 2dhm s THR 88 Ca 0.32 0.62 0.13 0.00 -1.18 0.00 0.00 61.69 61.58 2dhm s THR 88 Cb -0.05 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.42 2dhm s THR 88 CO 0.19 0.54 1.10 -0.38 -0.54 0.00 0.00 174.62 175.53 2dhm n ILE 89 N 2.29 -0.29 0.45 2.99 -0.00 -1.26 0.57 119.36 124.11 2dhm n ILE 89 Ca -0.15 1.44 -0.18 0.00 -0.00 0.00 0.00 62.75 63.86 2dhm n ILE 89 Cb 0.53 -2.30 -0.09 0.00 -0.00 0.00 0.00 39.64 37.78 2dhm n ILE 89 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2dhm h LYS 90 N 0.00 -1.13 -0.83 0.38 6.56 -1.96 0.25 116.57 119.85 2dhm h LYS 90 Ca 0.57 0.08 0.20 0.00 -1.06 0.00 0.00 60.65 60.44 2dhm h LYS 90 Cb 1.49 0.26 -0.12 0.00 -0.57 0.00 0.00 32.23 33.28 2dhm h LYS 90 CO -0.55 -0.75 0.27 0.93 -2.06 0.00 0.00 179.45 177.29 2dhm h GLU 91 N -1.30 0.31 -0.03 3.15 4.39 -0.24 -1.10 114.58 119.75 2dhm h GLU 91 Ca -0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2dhm h GLU 91 Cb 0.90 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2dhm h GLU 91 CO 0.20 0.20 -0.01 2.35 -1.16 0.00 0.00 179.01 180.59 2dhm h TRP 92 N 0.32 0.06 -1.25 4.33 -0.00 -1.19 0.73 115.95 118.94 2dhm h TRP 92 Ca 0.49 -0.01 0.42 0.00 -0.00 0.00 0.00 58.89 59.79 2dhm h TRP 92 Cb 0.91 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.16 29.95 2dhm h TRP 92 CO -0.22 0.42 0.82 0.39 -0.00 0.00 0.00 178.44 179.86 2dhm n GLU 93 N -4.87 -0.02 -2.71 2.65 -0.58 0.88 -3.01 120.64 112.98 2dhm n GLU 93 Ca -0.08 1.02 -0.07 0.00 -0.42 0.00 0.00 57.16 57.62 2dhm n GLU 93 Cb 0.21 -2.08 0.09 0.00 -0.57 0.00 0.00 31.44 29.10 2dhm n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dhm n GLY 94 N -1.50 -0.15 0.15 0.62 0.00 -1.15 -5.01 105.19 98.15 2dhm n GLY 94 Ca 0.34 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 2dhm n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dhm h LEU 95 N 2.83 0.42 -0.44 0.99 5.85 0.57 -3.04 115.31 122.49 2dhm h LEU 95 Ca -0.17 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.42 2dhm h LEU 95 Cb 1.13 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2dhm h LEU 95 CO 0.09 0.50 0.08 -0.61 -0.34 0.00 0.00 178.44 178.16 2dhm h GLN 96 N 0.31 0.20 -3.75 1.25 4.15 -1.88 -3.43 115.11 111.96 2dhm h GLN 96 Ca 0.09 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.33 2dhm h GLN 96 Cb 0.23 -0.05 -0.23 0.00 0.21 0.00 0.00 27.48 27.65 2dhm h GLN 96 CO -0.00 0.13 -0.63 0.34 -1.93 0.00 0.00 178.83 176.74 2dhm s ASP 97 N -5.31 0.10 -0.09 -0.69 2.15 -1.15 -5.15 116.67 106.54 2dhm s ASP 97 Ca -0.13 -0.25 -0.01 0.00 0.43 0.00 0.00 52.55 52.59 2dhm s ASP 97 Cb 0.14 0.14 0.03 0.00 -0.30 0.00 0.00 42.92 42.92 2dhm s ASP 97 CO 0.72 -0.25 -0.05 0.42 -0.17 0.00 0.00 175.17 175.85 2dhm s THR 98 N -1.05 0.75 0.48 1.71 -4.23 -1.25 -4.54 115.64 107.51 2dhm s THR 98 Ca -0.11 -0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.06 2dhm s THR 98 Cb -0.07 -0.81 -0.09 0.00 1.34 0.00 0.00 72.50 72.87 2dhm s THR 98 CO 0.00 0.32 1.02 0.54 -0.54 0.00 0.00 174.62 175.95 2dhm s VAL 99 N 1.69 3.95 0.60 2.29 0.11 -1.26 -4.98 120.40 122.80 2dhm s VAL 99 Ca 0.03 1.20 -0.18 0.00 -2.93 0.00 0.00 61.98 60.10 2dhm s VAL 99 Cb -0.13 -3.49 -0.11 0.00 -1.53 0.00 0.00 36.38 31.12 2dhm s VAL 99 CO -0.06 -0.28 0.09 0.33 -3.33 0.00 0.00 175.10 171.86 2dhm n PHE 100 N -0.93 -2.18 -0.26 1.54 7.35 -1.26 -4.83 117.46 116.89 2dhm n PHE 100 Ca 0.09 0.39 0.04 0.00 -0.76 0.00 0.00 57.45 57.20 2dhm n PHE 100 Cb 0.53 -1.77 0.17 0.00 0.35 0.00 0.00 39.48 38.76 2dhm n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dhm h ALA 101 N -0.09 1.08 -1.72 3.13 0.00 -2.08 -3.43 119.26 116.15 2dhm h ALA 101 Ca -0.43 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2dhm h ALA 101 Cb 1.41 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.94 2dhm h ALA 101 CO 0.42 -0.08 0.19 -1.54 0.00 0.00 0.00 179.25 178.23 2dhm s SER 102 N -5.45 -0.74 0.52 0.00 1.04 -1.26 -5.16 113.70 102.64 2dhm s SER 102 Ca -0.12 1.16 -0.20 0.00 0.48 0.00 0.00 55.95 57.26 2dhm s SER 102 Cb 0.20 1.40 -0.06 0.00 0.10 0.00 0.00 66.02 67.65 2dhm s SER 102 CO 0.77 -0.18 1.14 -2.16 0.98 0.00 0.00 173.24 173.79 2dhm s PRO 103 N 1.66 3.47 -0.46 4.02 0.04 -1.26 -4.94 135.00 137.53 2dhm s PRO 103 Ca -0.09 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 2dhm s PRO 103 Cb -0.05 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2dhm s PRO 103 CO -0.17 -0.76 1.77 -1.25 0.04 0.00 0.00 177.00 176.62 2dhm s PRO 104 N -3.12 3.08 0.46 0.56 0.04 -1.26 -4.99 135.00 129.77 2dhm s PRO 104 Ca 0.70 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2dhm s PRO 104 Cb -0.25 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.06 2dhm s PRO 104 CO 0.29 -2.17 0.56 0.00 0.04 0.00 0.00 177.00 175.72 2dhm s ARG 106 N -4.36 1.26 0.00 0.00 3.00 -1.26 -5.32 118.95 112.27 2dhm s ARG 106 Ca 0.54 -1.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.13 2dhm s ARG 106 Cb -0.07 -1.53 0.00 0.00 0.00 0.00 0.00 34.95 33.35 2dhm s ARG 106 CO 0.32 0.37 0.00 0.41 0.00 0.00 0.00 175.30 176.40