#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmd s SER 2 N 0.00 -0.25 0.31 1.61 0.01 -1.26 -5.19 113.70 108.93 2dmd s SER 2 Ca 0.00 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.24 2dmd s SER 2 Cb 0.00 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.51 2dmd s SER 2 CO 0.00 -0.31 0.83 -0.44 0.41 0.00 0.00 173.24 173.73 2dmd s SER 3 N -1.60 -0.06 0.00 2.44 0.01 -1.26 -5.19 113.70 108.04 2dmd s SER 3 Ca 0.04 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2dmd s SER 3 Cb -0.01 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2dmd s SER 3 CO -0.03 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.77 2dmd n GLY 4 N -0.54 1.21 3.78 3.44 0.00 -1.26 -5.19 105.19 106.64 2dmd n GLY 4 Ca -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmd s SER 5 N 0.00 -0.06 -0.20 1.61 0.15 -1.26 -5.19 113.70 108.75 2dmd s SER 5 Ca 0.00 -0.35 -0.32 0.00 0.70 0.00 0.00 55.95 55.98 2dmd s SER 5 Cb 0.00 0.33 0.15 0.00 -1.71 0.00 0.00 66.02 64.79 2dmd s SER 5 CO 0.00 -0.63 1.18 -0.55 1.20 0.00 0.00 173.24 174.45 2dmd s SER 6 N -3.22 -0.18 -0.49 5.45 0.15 -1.26 -5.12 113.70 109.03 2dmd s SER 6 Ca 0.18 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.98 2dmd s SER 6 Cb 0.00 0.16 0.15 0.00 -1.71 0.00 0.00 66.02 64.63 2dmd s SER 6 CO 0.01 -0.22 0.32 -0.83 1.20 0.00 0.00 173.24 173.71 2dmd s GLY 7 N -1.56 1.82 0.48 9.45 0.00 -1.26 -5.12 107.32 111.14 2dmd s GLY 7 Ca 0.06 -2.81 -0.22 0.00 0.00 0.00 0.00 44.72 41.75 2dmd s GLY 7 CO -0.04 1.58 1.16 2.56 0.00 0.00 0.00 173.10 178.36 2dmd s PRO 8 N -0.08 3.65 0.08 2.90 0.04 -1.26 -5.05 135.00 135.28 2dmd s PRO 8 Ca 0.23 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.08 2dmd s PRO 8 Cb -0.14 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2dmd s PRO 8 CO -0.08 -0.63 -0.16 -1.01 0.04 0.00 0.00 177.00 175.16 2dmd s HIS 9 N -1.60 2.60 0.10 0.56 3.76 -1.26 -5.07 115.29 114.37 2dmd s HIS 9 Ca 0.66 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 55.38 2dmd s HIS 9 Cb -0.27 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 2dmd s HIS 9 CO 0.33 0.35 -0.10 -1.59 -0.85 0.00 0.00 174.74 172.87 2dmd s LYS 10 N -1.87 0.85 1.02 1.40 -2.85 -1.26 -3.32 119.74 113.72 2dmd s LYS 10 Ca 0.17 -1.15 -0.19 0.00 -1.00 0.00 0.00 55.97 53.80 2dmd s LYS 10 Cb -0.11 -0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.08 2dmd s LYS 10 CO 0.09 0.08 -0.48 0.00 0.10 0.00 0.00 175.35 175.14 2dmd n GLU 12 N 0.18 1.94 0.08 0.00 2.13 -1.26 -3.77 120.64 119.94 2dmd n GLU 12 Ca 0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2dmd n GLU 12 Cb 0.62 -0.97 -0.02 0.00 0.27 0.00 0.00 31.44 31.35 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2dmd h VAL 13 N 0.00 1.44 0.00 6.31 -1.51 -2.01 -3.40 116.25 117.08 2dmd h VAL 13 Ca 0.00 -2.49 0.00 0.00 -1.23 0.00 0.00 66.70 62.98 2dmd h VAL 13 Cb 0.43 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2dmd h VAL 13 CO 0.00 0.73 -0.82 0.00 -1.23 0.00 0.00 177.57 176.26 2dmd n GLY 15 N 3.10 0.91 3.73 0.00 0.00 -1.25 -5.06 105.19 106.63 2dmd n GLY 15 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2dmd n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmd s LYS 16 N -2.05 2.69 -0.10 1.61 2.20 -1.26 -4.83 119.74 118.00 2dmd s LYS 16 Ca 0.00 -0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 54.60 2dmd s LYS 16 Cb 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2dmd s LYS 16 CO 0.00 0.54 0.57 0.00 -0.36 0.00 0.00 175.35 176.10 2dmd s PHE 18 N 0.71 1.18 -0.09 0.00 0.08 -1.21 -4.99 117.98 113.65 2dmd s PHE 18 Ca 0.31 -0.62 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 2dmd s PHE 18 Cb -0.16 -0.63 -0.16 0.00 -0.57 0.00 0.00 43.02 41.49 2dmd s PHE 18 CO 0.14 0.05 0.68 0.77 -0.10 0.00 0.00 175.22 176.76 2dmd h SER 19 N 3.55 -0.08 -1.55 1.36 0.02 -1.98 -3.39 113.55 111.48 2dmd h SER 19 Ca -0.38 -0.50 -0.61 0.00 -0.84 0.00 0.00 61.79 59.46 2dmd h SER 19 Cb 1.19 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 2dmd h SER 19 CO 0.52 0.61 -0.55 -0.13 -1.14 0.00 0.00 176.83 176.13 2dmd s ARG 20 N -2.69 2.08 0.02 3.45 0.52 -1.26 -4.77 118.95 116.29 2dmd s ARG 20 Ca -0.12 -2.03 -0.17 0.00 -0.52 0.00 0.00 55.73 52.89 2dmd s ARG 20 Cb -0.01 -1.77 -0.32 0.00 0.52 0.00 0.00 34.95 33.37 2dmd s ARG 20 CO 0.46 -0.10 1.01 1.57 0.02 0.00 0.00 175.30 178.26 2dmd h LYS 21 N 1.60 0.51 -0.78 3.54 2.10 -1.92 -3.33 116.57 118.29 2dmd h LYS 21 Ca -0.43 -0.78 0.16 0.00 -2.00 0.00 0.00 60.65 57.60 2dmd h LYS 21 Cb 1.25 0.28 -0.15 0.00 -0.90 0.00 0.00 32.23 32.71 2dmd h LYS 21 CO 0.76 1.36 -0.16 0.22 -2.00 0.00 0.00 179.45 179.64 2dmd h ASP 22 N 0.05 -0.66 -0.90 7.07 1.82 -2.01 0.59 116.42 122.38 2dmd h ASP 22 Ca -0.20 0.23 0.15 0.00 -0.39 0.00 0.00 57.03 56.82 2dmd h ASP 22 Cb 1.92 0.46 -0.07 0.00 0.68 0.00 0.00 39.33 42.31 2dmd h ASP 22 CO 0.23 -0.25 0.58 0.11 -1.61 0.00 0.00 179.24 178.30 2dmd h LYS 23 N 0.02 0.68 0.55 0.28 1.57 -2.00 -2.24 116.57 115.43 2dmd h LYS 23 Ca 0.39 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2dmd h LYS 23 Cb 0.62 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dmd h LYS 23 CO -0.78 0.45 -0.29 1.25 -0.57 0.00 0.00 179.45 179.50 2dmd h LEU 24 N 0.70 -0.71 -1.00 2.94 5.85 0.06 0.32 115.31 123.47 2dmd h LEU 24 Ca 0.46 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.58 2dmd h LEU 24 Cb 0.74 0.20 -0.17 0.00 0.37 0.00 0.00 40.66 41.80 2dmd h LEU 24 CO -0.22 -0.48 0.54 0.11 -0.34 0.00 0.00 178.44 178.05 2dmd h LYS 25 N -0.78 0.15 0.00 1.25 6.56 -1.08 1.02 116.57 123.69 2dmd h LYS 25 Ca -0.07 -0.01 -0.21 0.00 -1.06 0.00 0.00 60.65 59.30 2dmd h LYS 25 Cb 0.62 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 2dmd h LYS 25 CO 0.10 0.10 -1.20 1.15 -2.06 0.00 0.00 179.45 177.54 2dmd h THR 26 N 0.16 1.13 -0.07 -0.16 2.02 -1.38 -3.29 112.91 111.31 2dmd h THR 26 Ca 0.79 -2.79 0.02 0.00 0.77 0.00 0.00 66.41 65.20 2dmd h THR 26 Cb 1.95 2.52 -0.00 0.00 -1.74 0.00 0.00 68.15 70.88 2dmd h THR 26 CO -0.69 0.64 0.12 -0.74 0.37 0.00 0.00 175.52 175.22 2dmd h HIS 27 N 0.00 0.00 0.00 3.16 -0.00 0.51 0.33 115.15 119.14 2dmd h HIS 27 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2dmd h HIS 27 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.16 2dmd h HIS 27 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.93 176.60 2dmd n MET 28 N -3.54 0.33 0.20 5.26 2.81 -0.88 -3.30 117.12 118.00 2dmd n MET 28 Ca -0.01 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.04 2dmd n MET 28 Cb 0.21 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 31.90 2dmd n MET 28 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2dmd h ARG 29 N 0.00 0.00 -0.14 0.03 0.11 -0.55 -0.83 114.38 113.01 2dmd h ARG 29 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dmd h ARG 29 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2dmd h ARG 29 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 2dmd n HIS 31 N -0.95 0.00 -1.62 0.00 8.25 -0.33 -4.98 115.22 115.59 2dmd n HIS 31 Ca 0.19 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.19 2dmd n HIS 31 Cb 0.77 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 2dmd n HIS 31 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dmd n THR 32 N -3.73 0.51 -4.78 1.59 -2.24 -1.15 -4.96 114.28 99.53 2dmd n THR 32 Ca -0.13 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 2dmd n THR 32 Cb 0.40 -2.12 -0.16 0.00 -2.10 0.00 0.00 70.33 66.35 2dmd n THR 32 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dmd s GLY 33 N 5.71 1.44 -0.58 3.38 0.00 -1.26 -5.01 107.32 110.99 2dmd s GLY 33 Ca 0.96 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 2dmd s GLY 33 CO 0.45 -0.12 2.13 3.33 0.00 0.00 0.00 173.10 178.89 2dmd n VAL 34 N 3.80 3.36 -3.57 1.40 0.24 -1.26 -4.70 118.33 117.60 2dmd n VAL 34 Ca -0.19 -2.84 -0.27 0.00 -2.04 0.00 0.00 64.34 59.00 2dmd n VAL 34 Cb 0.52 -1.28 -0.10 0.00 -1.47 0.00 0.00 33.84 31.51 2dmd n VAL 34 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dmd n LYS 35 N -0.27 1.56 0.17 7.34 4.01 -1.26 -4.78 118.16 124.93 2dmd n LYS 35 Ca 0.51 -4.11 0.02 0.00 -0.51 0.00 0.00 58.31 54.21 2dmd n LYS 35 Cb 0.55 -2.01 0.29 0.00 -0.51 0.00 0.00 35.03 33.35 2dmd n LYS 35 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2dmd h PRO 36 N 4.90 0.00 -6.10 1.97 0.13 -1.84 -3.41 132.00 127.65 2dmd h PRO 36 Ca 0.18 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.81 2dmd h PRO 36 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 2dmd h PRO 36 CO 0.65 0.46 1.20 0.71 -0.23 0.00 0.00 178.00 180.79 2dmd s TYR 37 N -3.90 1.96 -0.02 1.56 2.02 -1.25 -4.96 117.35 112.75 2dmd s TYR 37 Ca -0.02 0.35 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 2dmd s TYR 37 Cb 0.13 -4.32 -0.01 0.00 -0.40 0.00 0.00 41.96 37.36 2dmd s TYR 37 CO 0.73 -2.14 -0.16 0.15 -1.57 0.00 0.00 175.55 172.56 2dmd s LYS 38 N 6.42 1.42 1.12 -0.62 1.02 -1.26 -2.21 119.74 125.63 2dmd s LYS 38 Ca 0.54 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.86 2dmd s LYS 38 Cb -0.09 -1.31 0.26 0.00 -0.52 0.00 0.00 37.83 36.16 2dmd s LYS 38 CO 0.14 0.28 1.05 0.00 -0.92 0.00 0.00 175.35 175.91 2dmd h LYS 40 N -2.51 0.00 0.15 0.00 1.63 -1.97 -3.41 116.57 110.46 2dmd h LYS 40 Ca -0.58 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 58.87 2dmd h LYS 40 Cb 1.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 2dmd h LYS 40 CO 0.48 0.20 -1.89 0.00 -3.45 0.00 0.00 179.45 174.79 2dmd h THR 41 N -1.00 0.76 -4.49 1.00 1.03 -1.94 -3.44 112.91 104.83 2dmd h THR 41 Ca -0.00 -2.43 -0.48 0.00 -0.01 0.00 0.00 66.41 63.49 2dmd h THR 41 Cb 0.21 2.61 0.09 0.00 -1.07 0.00 0.00 68.15 69.99 2dmd h THR 41 CO -0.00 0.88 0.40 0.00 -0.01 0.00 0.00 175.52 176.79 2dmd n ASP 43 N -3.11 5.16 -4.74 0.00 5.75 -1.26 -4.12 116.55 114.22 2dmd n ASP 43 Ca 0.07 -3.76 -0.40 0.00 -0.01 0.00 0.00 54.79 50.70 2dmd n ASP 43 Cb 0.59 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2dmd s TYR 44 N -3.62 3.72 -0.25 2.11 5.04 -1.26 -4.97 117.35 118.12 2dmd s TYR 44 Ca 0.52 1.43 -0.08 0.00 -2.44 0.00 0.00 57.07 56.50 2dmd s TYR 44 Cb 0.42 -2.80 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 2dmd s TYR 44 CO 0.03 0.26 0.10 0.00 -1.34 0.00 0.00 175.55 174.60 2dmd s ALA 45 N 0.02 3.27 -0.03 3.97 0.00 -1.26 -3.63 121.76 124.10 2dmd s ALA 45 Ca 0.38 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2dmd s ALA 45 Cb -0.20 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2dmd s ALA 45 CO 0.22 -0.47 -0.23 0.00 0.00 0.00 0.00 175.76 175.28 2dmd s ALA 46 N 1.59 1.93 -0.35 0.00 0.00 -0.94 -5.02 121.76 118.97 2dmd s ALA 46 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2dmd s ALA 46 Cb -0.15 -0.53 0.50 0.00 0.00 0.00 0.00 23.12 22.93 2dmd s ALA 46 CO 0.05 0.44 1.72 0.00 0.00 0.00 0.00 175.76 177.97 2dmd n ALA 47 N 2.69 4.91 -3.63 0.00 0.00 -1.26 -3.82 120.51 119.40 2dmd n ALA 47 Ca -0.16 -2.22 -0.13 0.00 0.00 0.00 0.00 53.44 50.92 2dmd n ALA 47 Cb 0.52 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2dmd n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dmd s ASP 48 N -0.75 -0.71 0.24 0.00 1.01 -1.26 -5.04 116.67 110.15 2dmd s ASP 48 Ca 0.44 1.36 -0.06 0.00 0.71 0.00 0.00 52.55 54.99 2dmd s ASP 48 Cb 0.36 1.38 0.29 0.00 1.01 0.00 0.00 42.92 45.97 2dmd s ASP 48 CO 0.08 -0.23 1.87 0.77 0.21 0.00 0.00 175.17 177.86 2dmd h SER 49 N 4.92 0.88 0.78 0.27 4.64 -1.98 -2.79 113.55 120.26 2dmd h SER 49 Ca -0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 2dmd h SER 49 Cb 1.16 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2dmd h SER 49 CO 0.06 0.59 -0.38 0.77 -0.87 0.00 0.00 176.83 177.01 2dmd h SER 50 N 1.03 -0.89 -1.55 4.97 4.64 -1.99 -1.95 113.55 117.81 2dmd h SER 50 Ca 0.36 0.03 0.50 0.00 -0.47 0.00 0.00 61.79 62.20 2dmd h SER 50 Cb 0.07 0.23 -0.12 0.00 -0.31 0.00 0.00 62.40 62.28 2dmd h SER 50 CO -0.14 -0.52 1.04 0.28 -0.87 0.00 0.00 176.83 176.62 2dmd h SER 51 N -1.28 0.14 0.50 4.97 0.02 -1.95 1.90 113.55 117.86 2dmd h SER 51 Ca -0.11 0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2dmd h SER 51 Cb 0.80 0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.46 2dmd h SER 51 CO 0.18 -0.17 -1.20 0.25 -1.14 0.00 0.00 176.83 174.75 2dmd h LEU 52 N 0.02 0.52 -0.18 5.07 5.85 -1.31 -3.18 115.31 122.10 2dmd h LEU 52 Ca 0.89 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 2dmd h LEU 52 Cb 3.07 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 43.94 2dmd h LEU 52 CO -0.32 1.37 -0.08 0.78 -0.34 0.00 0.00 178.44 179.86 2dmd h ASN 53 N 0.13 0.37 -0.05 1.25 4.21 0.36 -2.75 115.58 119.11 2dmd h ASN 53 Ca -0.14 -0.41 0.01 0.00 1.21 0.00 0.00 56.30 56.98 2dmd h ASN 53 Cb 1.90 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.99 2dmd h ASN 53 CO 0.20 0.70 0.05 0.07 -1.29 0.00 0.00 177.43 177.16 2dmd h LYS 54 N 0.05 0.00 0.18 0.81 2.10 -0.95 -2.62 116.57 116.14 2dmd h LYS 54 Ca 0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2dmd h LYS 54 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2dmd h LYS 54 CO 0.02 0.00 -0.09 1.25 -2.00 0.00 0.00 179.45 178.64 2dmd h HIS 55 N 0.00 -0.22 0.00 0.07 2.76 -1.48 -3.11 115.15 113.17 2dmd h HIS 55 Ca 0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2dmd h HIS 55 Cb 0.12 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2dmd h HIS 55 CO 0.00 0.18 0.10 1.28 -1.30 0.00 0.00 177.93 178.19 2dmd n LEU 56 N -4.94 0.37 -0.01 0.26 4.77 -1.02 -1.31 117.00 115.12 2dmd n LEU 56 Ca -0.07 0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 2dmd n LEU 56 Cb 0.26 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 2dmd n LEU 56 CO 0.24 -0.75 0.30 0.03 -1.33 0.00 0.00 177.39 175.88 2dmd h ARG 57 N 0.00 0.27 -1.00 3.23 3.08 -1.41 -3.27 114.38 115.27 2dmd h ARG 57 Ca 0.00 -0.30 0.21 0.00 0.07 0.00 0.00 59.98 59.96 2dmd h ARG 57 Cb 0.20 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.23 2dmd h ARG 57 CO 0.00 1.03 0.61 -0.84 -1.07 0.00 0.00 179.97 179.70 2dmd h ILE 58 N -0.36 0.64 -0.32 2.04 3.07 -1.21 -3.39 117.51 117.98 2dmd h ILE 58 Ca -0.06 -0.23 -0.44 0.00 1.55 0.00 0.00 64.86 65.68 2dmd h ILE 58 Cb 1.19 -0.09 -0.07 0.00 -0.27 0.00 0.00 36.82 37.58 2dmd h ILE 58 CO 0.08 0.12 1.69 1.41 -1.05 0.00 0.00 178.15 180.40 2dmd n HIS 59 N -4.78 0.66 -3.91 0.16 8.25 -1.24 -4.83 115.22 109.53 2dmd n HIS 59 Ca 0.24 0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 57.65 2dmd n HIS 59 Cb 0.65 -2.11 -0.13 0.00 1.12 0.00 0.00 29.99 29.52 2dmd n HIS 59 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dmd s SER 60 N 8.12 4.43 -0.60 0.41 0.01 -1.26 -4.94 113.70 119.87 2dmd s SER 60 Ca 1.26 -3.31 0.02 0.00 1.31 0.00 0.00 55.95 55.23 2dmd s SER 60 Cb -0.92 -1.59 0.40 0.00 0.21 0.00 0.00 66.02 64.12 2dmd s SER 60 CO 0.44 -0.18 1.56 0.47 0.41 0.00 0.00 173.24 175.94 2dmd n ASP 61 N 2.70 6.12 -0.00 2.44 8.00 -1.26 -4.78 116.55 129.77 2dmd n ASP 61 Ca 0.11 -3.78 0.23 0.00 0.71 0.00 0.00 54.79 52.06 2dmd n ASP 61 Cb 0.33 -0.73 0.65 0.00 -0.02 0.00 0.00 41.12 41.35 2dmd n ASP 61 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2dmd h GLU 62 N 2.61 0.00 -6.78 -1.24 4.11 -1.98 -3.42 114.58 107.89 2dmd h GLU 62 Ca 0.44 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 59.30 2dmd h GLU 62 Cb 0.66 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.08 2dmd h GLU 62 CO 1.14 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.76 2dmd n ARG 63 N -3.52 0.75 -0.04 1.06 3.00 -1.26 -4.93 116.66 111.72 2dmd n ARG 63 Ca 0.12 0.30 -0.13 0.00 -0.01 0.00 0.00 57.85 58.13 2dmd n ARG 63 Cb 0.91 -2.07 -0.08 0.00 0.00 0.00 0.00 32.46 31.22 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2dmd h PRO 64 N 0.32 0.24 -6.32 5.56 0.13 -1.81 -3.44 132.00 126.67 2dmd h PRO 64 Ca -0.48 -0.13 -0.54 0.00 -0.87 0.00 0.00 66.00 63.98 2dmd h PRO 64 Cb 1.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 2dmd h PRO 64 CO 0.49 0.66 0.20 -0.06 -0.23 0.00 0.00 178.00 179.07 2dmd s PHE 65 N -4.28 3.72 0.06 1.56 0.08 -1.25 -5.06 117.98 112.82 2dmd s PHE 65 Ca -0.15 1.52 0.02 0.00 0.12 0.00 0.00 56.93 58.44 2dmd s PHE 65 Cb 0.04 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.57 2dmd s PHE 65 CO 0.73 0.22 -0.07 0.15 -0.10 0.00 0.00 175.22 176.15 2dmd s LYS 66 N 0.14 0.64 0.05 0.44 1.02 -1.26 -3.04 119.74 117.73 2dmd s LYS 66 Ca 0.41 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 2dmd s LYS 66 Cb -0.21 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 2dmd s LYS 66 CO 0.24 0.01 0.21 0.00 -0.92 0.00 0.00 175.35 174.89 2dmd h GLN 68 N 3.19 0.00 -0.62 0.00 1.08 -1.98 -3.38 115.11 113.40 2dmd h GLN 68 Ca -0.46 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 56.87 2dmd h GLN 68 Cb 1.16 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.48 2dmd h GLN 68 CO 0.75 0.00 -0.08 0.82 -0.95 0.00 0.00 178.83 179.36 2dmd h ILE 69 N -0.93 0.43 -3.55 2.54 5.03 -1.96 -3.42 117.51 115.64 2dmd h ILE 69 Ca 0.00 -0.02 -0.61 0.00 -0.12 0.00 0.00 64.86 64.12 2dmd h ILE 69 Cb 0.09 0.37 -0.20 0.00 -3.03 0.00 0.00 36.82 34.05 2dmd h ILE 69 CO 0.00 0.01 -0.82 0.00 -0.68 0.00 0.00 178.15 176.65 2dmd n PRO 71 N 0.61 0.49 -0.93 0.00 -0.04 -1.26 -3.83 135.00 130.04 2dmd n PRO 71 Ca -0.16 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 2dmd n PRO 71 Cb 0.55 -1.33 0.06 0.00 -0.04 0.00 0.00 33.50 32.75 2dmd n PRO 71 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2dmd n TYR 72 N -0.83 -2.29 -3.60 0.54 9.36 -1.26 -4.73 117.16 114.35 2dmd n TYR 72 Ca 0.08 0.37 -0.14 0.00 3.32 0.00 0.00 57.90 61.53 2dmd n TYR 72 Cb 0.04 -1.46 -0.07 0.00 -0.63 0.00 0.00 39.34 37.22 2dmd n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmd s ALA 73 N -2.07 -1.82 -0.14 2.98 0.00 -1.26 -3.17 121.76 116.28 2dmd s ALA 73 Ca 0.42 1.82 -0.10 0.00 0.00 0.00 0.00 51.96 54.10 2dmd s ALA 73 Cb -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2dmd s ALA 73 CO 0.70 -0.33 0.35 0.45 0.00 0.00 0.00 175.76 176.94 2dmd s SER 74 N -0.08 -0.39 0.09 0.00 0.15 -1.17 -5.02 113.70 107.28 2dmd s SER 74 Ca -0.02 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.19 2dmd s SER 74 Cb -0.04 0.69 -0.08 0.00 -1.71 0.00 0.00 66.02 64.88 2dmd s SER 74 CO 0.02 -0.15 1.48 0.08 1.20 0.00 0.00 173.24 175.87 2dmd h ARG 75 N 6.26 0.53 -7.59 5.44 0.11 -1.95 -3.32 114.38 113.86 2dmd h ARG 75 Ca -0.32 -0.20 -0.45 0.00 0.10 0.00 0.00 59.98 59.11 2dmd h ARG 75 Cb 1.18 -0.03 0.15 0.00 1.11 0.00 0.00 29.97 32.38 2dmd h ARG 75 CO 0.30 0.74 0.31 -0.80 0.10 0.00 0.00 179.97 180.62 2dmd s ASN 76 N -6.13 2.90 -0.19 0.08 -0.87 -1.26 -4.76 114.94 104.71 2dmd s ASN 76 Ca -0.13 0.65 -0.15 0.00 -1.57 0.00 0.00 52.86 51.65 2dmd s ASN 76 Cb 0.08 -0.97 -0.07 0.00 -0.02 0.00 0.00 41.25 40.26 2dmd s ASN 76 CO 0.77 -2.90 -0.27 -0.24 -2.57 0.00 0.00 177.10 171.89 2dmd n SER 77 N -3.94 1.91 -0.31 -1.22 2.88 -1.26 -4.41 113.62 107.26 2dmd n SER 77 Ca 0.11 0.41 -0.08 0.00 -1.33 0.00 0.00 58.87 57.98 2dmd n SER 77 Cb 0.59 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 2dmd n SER 77 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmd h SER 78 N -1.00 -1.77 -0.89 -3.46 0.87 -1.98 0.89 113.55 106.21 2dmd h SER 78 Ca -0.14 0.29 0.14 0.00 -1.23 0.00 0.00 61.79 60.85 2dmd h SER 78 Cb 1.00 0.81 -0.14 0.00 -0.44 0.00 0.00 62.40 63.62 2dmd h SER 78 CO -0.08 -0.30 -0.34 0.00 -0.53 0.00 0.00 176.83 175.58 2dmd n GLN 79 N -5.36 -0.20 -0.12 2.24 3.00 -1.26 0.48 117.38 116.16 2dmd n GLN 79 Ca 0.03 1.37 -0.11 0.00 -0.01 0.00 0.00 57.00 58.27 2dmd n GLN 79 Cb 0.33 -2.03 -0.03 0.00 0.00 0.00 0.00 30.24 28.51 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2dmd h LEU 80 N 0.00 0.65 -0.79 1.08 5.85 -1.14 -1.47 115.31 119.50 2dmd h LEU 80 Ca 0.32 -0.35 0.18 0.00 0.84 0.00 0.00 57.88 58.87 2dmd h LEU 80 Cb 0.54 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.27 2dmd h LEU 80 CO -0.88 0.85 0.22 0.74 -0.34 0.00 0.00 178.44 179.02 2dmd h THR 81 N 0.45 0.48 -0.01 1.05 2.02 0.22 0.12 112.91 117.23 2dmd h THR 81 Ca 0.09 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2dmd h THR 81 Cb 0.55 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2dmd h THR 81 CO 0.03 0.05 -0.32 0.58 0.37 0.00 0.00 175.52 176.24 2dmd h VAL 82 N 0.28 1.51 -0.27 3.16 2.07 -0.97 -3.31 116.25 118.73 2dmd h VAL 82 Ca 0.46 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 66.11 2dmd h VAL 82 Cb 0.82 2.68 -0.08 0.00 -1.52 0.00 0.00 31.29 33.19 2dmd h VAL 82 CO -0.54 0.54 -0.28 -0.74 0.02 0.00 0.00 177.57 176.57 2dmd h HIS 83 N -0.39 -0.77 -0.91 1.57 6.17 -0.37 -0.90 115.15 119.54 2dmd h HIS 83 Ca -0.04 0.04 0.26 0.00 0.71 0.00 0.00 60.37 61.35 2dmd h HIS 83 Cb 1.05 0.38 -0.15 0.00 2.52 0.00 0.00 27.41 31.21 2dmd h HIS 83 CO 0.17 -0.36 0.26 -0.07 0.71 0.00 0.00 177.93 178.64 2dmd h LEU 84 N -0.28 -0.00 -1.28 0.26 3.38 -0.92 0.50 115.31 116.97 2dmd h LEU 84 Ca 0.14 0.21 0.37 0.00 0.09 0.00 0.00 57.88 58.69 2dmd h LEU 84 Cb 0.50 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 2dmd h LEU 84 CO -0.43 -0.21 0.73 0.03 0.09 0.00 0.00 178.44 178.65 2dmd h ARG 85 N 0.17 0.21 -1.00 1.13 3.08 -1.24 0.58 114.38 117.31 2dmd h ARG 85 Ca 0.60 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.82 2dmd h ARG 85 Cb 1.26 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 2dmd h ARG 85 CO -0.70 0.14 0.62 0.77 -1.07 0.00 0.00 179.97 179.72 2dmd h SER 86 N 0.21 0.79 -0.73 7.04 0.02 -0.06 -3.29 113.55 117.53 2dmd h SER 86 Ca 0.75 0.09 -0.47 0.00 -0.84 0.00 0.00 61.79 61.32 2dmd h SER 86 Cb 2.09 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 64.51 2dmd h SER 86 CO -0.45 0.30 1.40 -1.00 -1.14 0.00 0.00 176.83 175.94 2dmd s HIS 87 N -5.85 2.25 0.04 3.45 3.76 0.20 -4.87 115.29 114.28 2dmd s HIS 87 Ca -0.11 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 2dmd s HIS 87 Cb 0.25 -4.34 0.05 0.00 1.11 0.00 0.00 32.58 29.64 2dmd s HIS 87 CO 0.80 -1.60 0.48 0.95 -0.85 0.00 0.00 174.74 174.52 2dmd s THR 88 N 7.94 0.04 0.00 1.30 -4.23 -1.24 -4.97 115.64 114.47 2dmd s THR 88 Ca 0.61 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2dmd s THR 88 Cb -0.00 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.88 2dmd s THR 88 CO 0.05 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2dmd n GLY 89 N 0.48 3.28 3.48 3.99 0.00 -1.26 -5.04 105.19 110.12 2dmd n GLY 89 Ca -0.18 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2dmd n GLY 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dmd s ASP 90 N 0.00 6.27 -0.48 1.61 1.11 -1.26 -5.00 116.67 118.93 2dmd s ASP 90 Ca 0.00 -0.67 -0.27 0.00 0.18 0.00 0.00 52.55 51.79 2dmd s ASP 90 Cb 0.00 -2.35 -0.03 0.00 1.07 0.00 0.00 42.92 41.61 2dmd s ASP 90 CO 0.00 -1.02 1.97 -0.44 1.18 0.00 0.00 175.17 176.86 2dmd s SER 91 N 2.73 5.32 0.00 0.27 0.01 -1.26 -4.72 113.70 116.04 2dmd s SER 91 Ca 0.21 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2dmd s SER 91 Cb -0.16 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2dmd s SER 91 CO 0.15 -2.24 0.00 0.61 0.41 0.00 0.00 173.24 172.17 2dmd n GLY 92 N 5.67 4.13 3.75 3.44 0.00 -1.26 -5.14 105.19 115.78 2dmd n GLY 92 Ca 0.25 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2dmd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 93 N -4.33 1.92 0.20 1.61 0.04 -1.26 -5.06 135.00 128.11 2dmd s PRO 93 Ca 0.00 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.16 2dmd s PRO 93 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2dmd s PRO 93 CO 0.00 -1.85 0.08 -1.54 0.04 0.00 0.00 177.00 173.74 2dmd s SER 94 N -3.41 5.13 -0.15 6.66 1.04 -1.26 -5.05 113.70 116.66 2dmd s SER 94 Ca 0.62 -0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.66 2dmd s SER 94 Cb -0.17 -1.20 -0.06 0.00 0.10 0.00 0.00 66.02 64.68 2dmd s SER 94 CO 0.56 0.04 -0.19 -0.24 0.98 0.00 0.00 173.24 174.40 2dmd n SER 95 N -0.54 1.12 0.00 7.02 2.88 -1.26 -4.98 113.62 117.86 2dmd n SER 95 Ca -0.08 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2dmd n SER 95 Cb 0.56 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42