#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 -0.12 0.01 1.61 0.01 -1.26 -5.19 113.70 108.76 2dmd s SER 2 Ca 0.00 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2dmd s SER 2 Cb 0.00 0.77 0.10 0.00 0.21 0.00 0.00 66.02 67.11 2dmd s SER 2 CO 0.00 -1.49 1.10 -0.94 0.41 0.00 0.00 173.24 172.32 2dmd s SER 3 N -3.01 -0.16 0.27 2.44 1.04 -1.26 -5.19 113.70 107.82 2dmd s SER 3 Ca 0.14 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dmd s SER 3 Cb -0.05 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2dmd s SER 3 CO 0.09 -0.53 0.26 -0.83 0.98 0.00 0.00 173.24 173.21 2dmd s GLY 4 N -2.74 1.65 0.14 7.32 0.00 -1.26 -5.18 107.32 107.25 2dmd s GLY 4 Ca 0.11 -1.72 -0.24 0.00 0.00 0.00 0.00 44.72 42.87 2dmd s GLY 4 CO -0.03 -1.30 0.69 -0.45 0.00 0.00 0.00 173.10 172.02 2dmd s SER 5 N -3.23 -0.47 0.30 1.64 0.15 -1.26 -5.18 113.70 105.64 2dmd s SER 5 Ca 0.37 -0.08 0.10 0.00 0.70 0.00 0.00 55.95 57.03 2dmd s SER 5 Cb 0.04 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.85 2dmd s SER 5 CO 0.18 -0.93 -0.13 -0.55 1.20 0.00 0.00 173.24 173.01 2dmd s SER 6 N -2.72 3.40 -0.48 5.45 0.15 -1.26 -5.11 113.70 113.12 2dmd s SER 6 Ca 0.03 -1.12 0.03 0.00 0.70 0.00 0.00 55.95 55.60 2dmd s SER 6 Cb -0.02 -0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.18 2dmd s SER 6 CO -0.09 -0.13 0.34 -0.83 1.20 0.00 0.00 173.24 173.73 2dmd s GLY 7 N -3.51 1.70 0.98 9.45 0.00 -1.26 -5.12 107.32 109.56 2dmd s GLY 7 Ca 0.30 -2.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.12 2dmd s GLY 7 CO 0.14 1.74 1.09 2.56 0.00 0.00 0.00 173.10 178.63 2dmd s PRO 8 N -0.16 0.56 -0.14 2.90 0.04 -1.26 -5.06 135.00 131.88 2dmd s PRO 8 Ca 0.26 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2dmd s PRO 8 Cb -0.07 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2dmd s PRO 8 CO -0.13 -2.65 -0.13 -1.01 0.04 0.00 0.00 177.00 173.12 2dmd s HIS 9 N -2.96 2.02 -0.20 0.56 3.76 -1.26 -5.11 115.29 112.11 2dmd s HIS 9 Ca 0.65 -1.09 -0.00 0.00 -0.15 0.00 0.00 55.06 54.47 2dmd s HIS 9 Cb -0.18 -1.51 0.05 0.00 1.11 0.00 0.00 32.58 32.05 2dmd s HIS 9 CO 0.57 -0.61 -0.05 0.21 -0.85 0.00 0.00 174.74 174.01 2dmd s LYS 10 N 1.45 1.53 -0.11 1.40 2.20 -1.26 -3.70 119.74 121.24 2dmd s LYS 10 Ca 0.03 -0.73 -0.34 0.00 -0.36 0.00 0.00 55.97 54.58 2dmd s LYS 10 Cb -0.13 -2.29 -0.11 0.00 -1.51 0.00 0.00 37.83 33.79 2dmd s LYS 10 CO -0.09 -0.51 1.94 0.00 -0.36 0.00 0.00 175.35 176.33 2dmd n GLU 12 N 7.02 0.73 -0.32 0.00 0.00 -1.26 -1.02 120.64 125.79 2dmd n GLU 12 Ca 0.25 0.23 0.21 0.00 0.00 0.00 0.00 57.16 57.84 2dmd n GLU 12 Cb 0.31 -1.66 0.42 0.00 0.00 0.00 0.00 31.44 30.50 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2dmd h VAL 13 N 0.05 0.29 0.00 3.84 -1.51 -1.97 -2.89 116.25 114.06 2dmd h VAL 13 Ca -0.46 -0.09 -0.15 0.00 -1.23 0.00 0.00 66.70 64.77 2dmd h VAL 13 Cb 2.00 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 2dmd h VAL 13 CO 0.04 0.05 -1.55 0.00 -1.23 0.00 0.00 177.57 174.88 2dmd n GLY 15 N 2.69 1.53 3.82 0.00 0.00 -0.20 -5.12 105.19 107.91 2dmd n GLY 15 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2dmd n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmd s LYS 16 N -0.53 2.63 0.05 1.61 -0.14 -0.19 -4.93 119.74 118.24 2dmd s LYS 16 Ca 0.00 -1.37 0.04 0.00 -1.36 0.00 0.00 55.97 53.29 2dmd s LYS 16 Cb 0.00 -2.40 -0.02 0.00 -1.68 0.00 0.00 37.83 33.73 2dmd s LYS 16 CO 0.00 0.09 -0.13 0.00 -0.76 0.00 0.00 175.35 174.55 2dmd s PHE 18 N -1.07 0.08 -0.26 0.00 0.08 -1.24 -4.98 117.98 110.59 2dmd s PHE 18 Ca -0.02 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.64 2dmd s PHE 18 Cb -0.09 -0.05 -0.15 0.00 -0.57 0.00 0.00 43.02 42.16 2dmd s PHE 18 CO 0.01 -0.42 -0.26 0.43 -0.10 0.00 0.00 175.22 174.89 2dmd n SER 19 N 0.69 1.97 -4.77 1.36 7.64 -1.26 -4.59 113.62 114.66 2dmd n SER 19 Ca -0.19 0.11 -0.37 0.00 1.01 0.00 0.00 58.87 59.44 2dmd n SER 19 Cb 0.59 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2dmd s ARG 20 N -2.51 3.64 0.27 1.43 1.81 -1.26 -4.94 118.95 117.39 2dmd s ARG 20 Ca -0.36 1.78 0.24 0.00 -1.72 0.00 0.00 55.73 55.66 2dmd s ARG 20 Cb 0.12 -2.33 0.38 0.00 -0.45 0.00 0.00 34.95 32.67 2dmd s ARG 20 CO 0.55 -0.65 1.47 1.57 -0.68 0.00 0.00 175.30 177.56 2dmd h LYS 21 N 1.86 0.00 0.00 3.54 -0.00 -2.01 -3.32 116.57 116.63 2dmd h LYS 21 Ca -0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 60.65 59.98 2dmd h LYS 21 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.46 2dmd h LYS 21 CO 0.59 0.00 -1.04 0.22 -0.00 0.00 0.00 179.45 179.22 2dmd h ASP 22 N 0.00 0.00 -1.24 7.07 3.58 -2.00 -3.20 116.42 120.63 2dmd h ASP 22 Ca 0.00 -0.44 0.36 0.00 0.42 0.00 0.00 57.03 57.37 2dmd h ASP 22 Cb 0.89 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.85 2dmd h ASP 22 CO 0.00 1.32 0.84 0.11 -2.88 0.00 0.00 179.24 178.63 2dmd h LYS 23 N -1.00 0.16 0.06 0.28 1.79 -1.98 0.19 116.57 116.06 2dmd h LYS 23 Ca -0.27 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.06 2dmd h LYS 23 Cb 1.13 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.76 2dmd h LYS 23 CO -0.16 0.10 -0.57 1.25 -1.08 0.00 0.00 179.45 178.99 2dmd h LEU 24 N 0.16 0.40 -0.75 2.94 5.85 -1.72 -2.67 115.31 119.53 2dmd h LEU 24 Ca 0.68 -0.86 0.13 0.00 0.84 0.00 0.00 57.88 58.66 2dmd h LEU 24 Cb 2.21 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.99 2dmd h LEU 24 CO -0.22 1.23 -0.26 0.29 -0.34 0.00 0.00 178.44 179.13 2dmd n LYS 25 N -4.27 -0.14 -0.06 1.25 4.76 0.66 -0.80 118.16 119.56 2dmd n LYS 25 Ca -0.12 1.16 -0.14 0.00 -2.87 0.00 0.00 58.31 56.34 2dmd n LYS 25 Cb 0.69 -1.73 -0.13 0.00 -1.84 0.00 0.00 35.03 32.02 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2dmd h THR 26 N 0.00 1.75 -0.71 -0.18 2.02 -1.66 -3.32 112.91 110.81 2dmd h THR 26 Ca 0.29 -2.28 0.26 0.00 0.77 0.00 0.00 66.41 65.46 2dmd h THR 26 Cb 0.48 3.29 -0.09 0.00 -1.74 0.00 0.00 68.15 70.09 2dmd h THR 26 CO -0.75 0.60 0.43 1.57 0.37 0.00 0.00 175.52 177.73 2dmd n HIS 27 N -4.59 0.53 -0.26 3.16 -0.00 0.02 0.13 115.22 114.22 2dmd n HIS 27 Ca -0.10 0.53 0.01 0.00 -0.00 0.00 0.00 57.72 58.16 2dmd n HIS 27 Cb 0.49 -0.94 0.08 0.00 -0.00 0.00 0.00 29.99 29.62 2dmd n HIS 27 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmd h MET 28 N 0.00 -0.00 -6.95 1.57 2.07 -1.47 -3.45 114.93 106.70 2dmd h MET 28 Ca 0.51 0.00 -0.58 0.00 -2.07 0.00 0.00 59.70 57.55 2dmd h MET 28 Cb 1.51 0.00 -0.26 0.00 -1.87 0.00 0.00 31.60 30.97 2dmd h MET 28 CO -0.35 -0.00 -0.89 0.54 1.07 0.00 0.00 176.91 177.28 2dmd n ARG 29 N -5.49 -0.86 -3.93 1.72 5.12 0.35 -0.27 116.66 113.29 2dmd n ARG 29 Ca 0.10 0.10 -0.28 0.00 -1.93 0.00 0.00 57.85 55.84 2dmd n ARG 29 Cb 0.38 -3.78 -0.05 0.00 -1.16 0.00 0.00 32.46 27.85 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dmd n HIS 31 N -3.88 1.29 -3.64 0.00 8.25 0.62 -4.90 115.22 112.96 2dmd n HIS 31 Ca -0.20 0.84 -0.05 0.00 -0.26 0.00 0.00 57.72 58.05 2dmd n HIS 31 Cb 0.51 -1.66 -0.07 0.00 1.12 0.00 0.00 29.99 29.89 2dmd n HIS 31 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dmd s THR 32 N 2.33 0.00 0.00 1.59 -1.32 -1.26 -5.12 115.64 111.86 2dmd s THR 32 Ca 0.78 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 2dmd s THR 32 Cb -1.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2dmd s THR 32 CO 0.60 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 2dmd n GLY 33 N 1.97 1.39 3.56 6.08 0.00 -1.26 -5.17 105.19 111.75 2dmd n GLY 33 Ca -0.12 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2dmd n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dmd s VAL 34 N -2.52 1.59 -1.06 1.61 -7.23 -1.26 -3.96 120.40 107.58 2dmd s VAL 34 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2dmd s VAL 34 Cb 0.00 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.54 2dmd s VAL 34 CO 0.00 0.00 0.21 0.29 -0.31 0.00 0.00 175.10 175.29 2dmd n LYS 35 N -4.84 -0.72 0.00 4.82 4.01 -1.26 -4.72 118.16 115.44 2dmd n LYS 35 Ca 0.12 -0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.99 2dmd n LYS 35 Cb 0.59 -2.22 0.41 0.00 -0.51 0.00 0.00 35.03 33.31 2dmd n LYS 35 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2dmd n PRO 36 N -3.85 0.49 -3.75 1.97 -0.04 -1.25 -4.43 135.00 124.15 2dmd n PRO 36 Ca -0.18 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.91 2dmd n PRO 36 Cb 0.48 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2dmd n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dmd s TYR 37 N -2.00 3.35 0.16 0.54 2.02 -1.26 -5.04 117.35 115.12 2dmd s TYR 37 Ca 0.21 -1.74 0.10 0.00 -0.37 0.00 0.00 57.07 55.26 2dmd s TYR 37 Cb 0.10 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 2dmd s TYR 37 CO 0.16 -0.83 -0.23 0.15 -1.57 0.00 0.00 175.55 173.24 2dmd s LYS 38 N 1.33 1.36 0.61 -0.62 1.02 -1.26 -0.24 119.74 121.94 2dmd s LYS 38 Ca 0.01 -1.39 -0.19 0.00 0.02 0.00 0.00 55.97 54.42 2dmd s LYS 38 Cb -0.21 -1.65 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 2dmd s LYS 38 CO 0.00 0.37 1.24 0.00 -0.92 0.00 0.00 175.35 176.04 2dmd h LYS 40 N 0.78 0.26 0.00 0.00 3.64 -2.00 -3.38 116.57 115.87 2dmd h LYS 40 Ca -0.51 -0.13 -0.25 0.00 -1.27 0.00 0.00 60.65 58.49 2dmd h LYS 40 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 2dmd h LYS 40 CO 0.54 0.66 -1.40 -2.37 -2.27 0.00 0.00 179.45 174.62 2dmd n THR 41 N -4.64 1.53 -1.48 1.00 5.66 -1.26 -4.97 114.28 110.11 2dmd n THR 41 Ca -0.07 -0.06 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 2dmd n THR 41 Cb 0.32 -2.03 0.21 0.00 -1.55 0.00 0.00 70.33 67.28 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dmd n ASP 43 N -4.27 4.38 -4.88 0.00 8.00 -1.26 -4.23 116.55 114.29 2dmd n ASP 43 Ca 0.14 -3.52 -0.36 0.00 0.71 0.00 0.00 54.79 51.75 2dmd n ASP 43 Cb 0.59 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2dmd s TYR 44 N -3.59 3.61 -0.14 1.24 5.04 -1.26 -4.95 117.35 117.30 2dmd s TYR 44 Ca 0.47 0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 55.62 2dmd s TYR 44 Cb 0.40 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 2dmd s TYR 44 CO -0.03 0.69 0.09 0.00 -1.34 0.00 0.00 175.55 174.97 2dmd s ALA 45 N -1.12 3.61 -0.15 3.97 0.00 -1.26 -2.68 121.76 124.14 2dmd s ALA 45 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 2dmd s ALA 45 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2dmd s ALA 45 CO 0.09 0.44 -0.09 0.00 0.00 0.00 0.00 175.76 176.20 2dmd s ALA 46 N -0.46 2.75 0.15 0.00 0.00 0.66 -5.01 121.76 119.86 2dmd s ALA 46 Ca 0.11 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 2dmd s ALA 46 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 2dmd s ALA 46 CO 0.02 0.18 1.56 0.00 0.00 0.00 0.00 175.76 177.51 2dmd h ALA 47 N 6.83 -0.55 -4.47 0.00 0.00 -1.91 -3.35 119.26 115.81 2dmd h ALA 47 Ca -0.29 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 2dmd h ALA 47 Cb 1.20 1.07 -0.07 0.00 0.00 0.00 0.00 17.79 20.00 2dmd h ALA 47 CO 0.58 -0.94 -0.26 -0.40 0.00 0.00 0.00 179.25 178.23 2dmd n ASP 48 N -5.38 2.19 0.13 0.00 5.68 -1.26 -4.09 116.55 113.83 2dmd n ASP 48 Ca -0.01 -2.19 -0.14 0.00 -0.50 0.00 0.00 54.79 51.96 2dmd n ASP 48 Cb 0.34 0.32 -0.08 0.00 -1.14 0.00 0.00 41.12 40.56 2dmd n ASP 48 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2dmd h SER 49 N 0.73 -0.24 -0.20 -1.12 0.87 -1.97 -3.10 113.55 108.52 2dmd h SER 49 Ca -0.21 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2dmd h SER 49 Cb 0.68 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 2dmd h SER 49 CO 0.34 -0.10 -0.20 0.28 -0.53 0.00 0.00 176.83 176.63 2dmd h SER 50 N -0.36 -0.62 -0.99 6.23 0.02 -1.97 -1.24 113.55 114.62 2dmd h SER 50 Ca -0.03 0.12 0.38 0.00 -0.84 0.00 0.00 61.79 61.42 2dmd h SER 50 Cb 0.27 0.30 -0.18 0.00 0.14 0.00 0.00 62.40 62.93 2dmd h SER 50 CO 0.05 -0.24 0.41 -1.20 -1.14 0.00 0.00 176.83 174.71 2dmd n SER 51 N -5.34 0.23 -0.04 3.07 7.64 -1.18 0.89 113.62 118.90 2dmd n SER 51 Ca -0.01 1.65 -0.15 0.00 1.01 0.00 0.00 58.87 61.37 2dmd n SER 51 Cb 0.26 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 2dmd n SER 51 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2dmd h LEU 52 N 0.00 0.50 -1.99 -3.43 5.85 -1.24 -3.12 115.31 111.89 2dmd h LEU 52 Ca 0.78 -0.61 0.42 0.00 0.84 0.00 0.00 57.88 59.31 2dmd h LEU 52 Cb 1.99 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 2dmd h LEU 52 CO -0.80 1.03 1.04 0.78 -0.34 0.00 0.00 178.44 180.15 2dmd h ASN 53 N 0.01 0.00 0.72 1.25 4.21 0.10 1.32 115.58 123.19 2dmd h ASN 53 Ca -0.01 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.26 2dmd h ASN 53 Cb 0.99 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 2dmd h ASN 53 CO 0.08 0.00 -1.09 0.11 -1.29 0.00 0.00 177.43 175.24 2dmd h LYS 54 N 0.00 0.18 0.00 0.81 1.57 -1.40 -2.91 116.57 114.83 2dmd h LYS 54 Ca 0.68 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 59.07 2dmd h LYS 54 Cb 2.75 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 35.15 2dmd h LYS 54 CO -0.01 1.10 -0.54 1.25 -0.57 0.00 0.00 179.45 180.69 2dmd h HIS 55 N 0.06 0.00 0.03 -1.35 2.76 0.16 -3.23 115.15 113.59 2dmd h HIS 55 Ca -0.08 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.85 2dmd h HIS 55 Cb 1.81 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.78 2dmd h HIS 55 CO 0.04 0.54 -1.02 -0.07 -1.30 0.00 0.00 177.93 176.11 2dmd h LEU 56 N 0.00 0.56 0.22 0.26 3.38 -0.83 -3.32 115.31 115.58 2dmd h LEU 56 Ca -0.01 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2dmd h LEU 56 Cb 1.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2dmd h LEU 56 CO 0.07 1.29 -0.11 0.03 0.09 0.00 0.00 178.44 179.81 2dmd h ARG 57 N 0.22 -0.29 -0.84 1.13 3.08 -1.54 -2.72 114.38 113.42 2dmd h ARG 57 Ca -0.10 0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.28 2dmd h ARG 57 Cb 1.67 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.64 2dmd h ARG 57 CO 0.18 -0.19 0.28 0.44 -1.07 0.00 0.00 179.97 179.61 2dmd n ILE 58 N -5.22 -0.35 -2.07 2.04 -5.35 -1.22 -3.72 119.36 103.47 2dmd n ILE 58 Ca -0.09 1.76 -0.37 0.00 -0.27 0.00 0.00 62.75 63.78 2dmd n ILE 58 Cb 0.14 -2.74 -0.03 0.00 -1.74 0.00 0.00 39.64 35.27 2dmd n ILE 58 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2dmd s HIS 59 N -5.48 1.71 -1.07 4.28 3.76 -1.03 -4.90 115.29 112.57 2dmd s HIS 59 Ca -0.09 0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 55.47 2dmd s HIS 59 Cb 0.27 -4.11 0.27 0.00 1.11 0.00 0.00 32.58 30.12 2dmd s HIS 59 CO 0.66 -2.21 1.09 0.45 -0.85 0.00 0.00 174.74 173.88 2dmd n SER 60 N 12.78 5.35 -3.52 1.40 2.88 -1.24 -4.75 113.62 126.52 2dmd n SER 60 Ca 0.23 -3.10 -0.27 0.00 -1.33 0.00 0.00 58.87 54.40 2dmd n SER 60 Cb 0.51 -1.30 -0.05 0.00 -0.75 0.00 0.00 64.21 62.62 2dmd n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dmd n ASP 61 N 2.44 -1.29 -4.62 -3.46 8.00 -1.26 -4.82 116.55 111.54 2dmd n ASP 61 Ca 0.24 -0.73 -0.41 0.00 0.71 0.00 0.00 54.79 54.60 2dmd n ASP 61 Cb 0.38 -1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 2dmd n ASP 61 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dmd s GLU 62 N -5.44 4.09 -1.27 -1.24 2.56 -1.26 -4.20 118.70 111.93 2dmd s GLU 62 Ca 0.53 0.57 -0.05 0.00 0.00 0.00 0.00 54.97 56.02 2dmd s GLU 62 Cb -0.31 -3.66 -0.01 0.00 2.00 0.00 0.00 34.13 32.15 2dmd s GLU 62 CO 0.65 -0.46 0.68 -2.13 -0.56 0.00 0.00 175.26 173.44 2dmd n ARG 63 N 5.79 -3.67 0.00 4.30 0.63 -1.26 -4.83 116.66 117.61 2dmd n ARG 63 Ca 0.00 0.56 0.07 0.00 -0.92 0.00 0.00 57.85 57.57 2dmd n ARG 63 Cb 0.49 -4.88 0.39 0.00 0.45 0.00 0.00 32.46 28.91 2dmd n ARG 63 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2dmd n PRO 64 N -4.21 0.27 -3.59 -0.14 -0.04 -1.26 -4.55 135.00 121.47 2dmd n PRO 64 Ca -0.25 0.12 -0.40 0.00 -0.04 0.00 0.00 63.50 62.93 2dmd n PRO 64 Cb 0.66 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 2dmd n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dmd s PHE 65 N -2.45 3.21 0.01 0.54 0.08 -1.21 -5.07 117.98 113.10 2dmd s PHE 65 Ca 0.16 -0.62 0.07 0.00 0.12 0.00 0.00 56.93 56.65 2dmd s PHE 65 Cb 0.10 -2.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2dmd s PHE 65 CO 0.22 -0.51 -0.21 0.15 -0.10 0.00 0.00 175.22 174.76 2dmd s LYS 66 N 1.62 1.57 0.40 0.44 3.01 -1.26 -2.07 119.74 123.45 2dmd s LYS 66 Ca 0.04 -0.85 -0.10 0.00 -1.01 0.00 0.00 55.97 54.05 2dmd s LYS 66 Cb -0.18 -1.60 -0.06 0.00 -1.01 0.00 0.00 37.83 34.98 2dmd s LYS 66 CO 0.08 0.43 0.76 0.00 0.51 0.00 0.00 175.35 177.12 2dmd n GLN 68 N -1.31 0.56 0.15 0.00 1.13 -1.26 -4.44 117.38 112.21 2dmd n GLN 68 Ca 0.02 0.57 -0.14 0.00 -1.94 0.00 0.00 57.00 55.52 2dmd n GLN 68 Cb 0.54 -1.74 -0.07 0.00 0.11 0.00 0.00 30.24 29.07 2dmd n GLN 68 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2dmd h ILE 69 N -1.00 0.73 -3.14 5.09 5.03 -1.99 -3.44 117.51 118.79 2dmd h ILE 69 Ca -0.35 0.00 -0.64 0.00 -0.12 0.00 0.00 64.86 63.75 2dmd h ILE 69 Cb 1.31 0.73 -0.16 0.00 -3.03 0.00 0.00 36.82 35.67 2dmd h ILE 69 CO -0.21 0.00 -0.75 0.00 -0.68 0.00 0.00 178.15 176.50 2dmd n PRO 71 N 0.19 0.49 -0.70 0.00 -0.04 -1.26 -4.02 135.00 129.66 2dmd n PRO 71 Ca -0.12 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.02 2dmd n PRO 71 Cb 0.55 -1.31 0.16 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.81 -1.07 -3.57 0.54 9.36 -1.26 -4.79 117.16 115.56 2dmd n TYR 72 Ca 0.07 0.19 -0.12 0.00 3.32 0.00 0.00 57.90 61.36 2dmd n TYR 72 Cb 0.03 -1.75 -0.05 0.00 -0.63 0.00 0.00 39.34 36.94 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 -2.39 -1.91 0.10 2.98 0.00 -1.26 -2.46 121.76 116.81 2dmd s ALA 73 Ca 0.60 1.57 -0.09 0.00 0.00 0.00 0.00 51.96 54.04 2dmd s ALA 73 Cb -0.19 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2dmd s ALA 73 CO 0.65 -0.31 0.21 0.45 0.00 0.00 0.00 175.76 176.76 2dmd s SER 74 N -1.00 0.10 -0.10 0.00 0.15 -0.88 -5.04 113.70 106.93 2dmd s SER 74 Ca -0.03 -0.66 -0.25 0.00 0.70 0.00 0.00 55.95 55.72 2dmd s SER 74 Cb -0.01 0.35 -0.28 0.00 -1.71 0.00 0.00 66.02 64.37 2dmd s SER 74 CO 0.02 -0.75 0.79 -0.09 1.20 0.00 0.00 173.24 174.41 2dmd h ARG 75 N 2.71 0.15 -6.68 5.44 1.12 -1.89 -3.20 114.38 112.03 2dmd h ARG 75 Ca -0.34 -0.25 -0.50 0.00 -1.11 0.00 0.00 59.98 57.78 2dmd h ARG 75 Cb 1.20 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 31.23 2dmd h ARG 75 CO 0.55 1.12 0.09 1.21 -3.11 0.00 0.00 179.97 179.83 2dmd s ASN 76 N -6.63 6.83 -0.03 -3.80 2.47 -1.26 -4.69 114.94 107.83 2dmd s ASN 76 Ca -0.17 1.30 -0.25 0.00 0.42 0.00 0.00 52.86 54.16 2dmd s ASN 76 Cb -0.00 -2.38 -0.19 0.00 -1.45 0.00 0.00 41.25 37.23 2dmd s ASN 76 CO 0.75 -0.15 1.14 -1.28 -3.72 0.00 0.00 177.10 173.85 2dmd h SER 77 N 2.53 -0.08 -0.58 -4.21 0.87 -2.00 -3.30 113.55 106.77 2dmd h SER 77 Ca -0.48 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 59.69 2dmd h SER 77 Cb 1.18 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.09 2dmd h SER 77 CO 0.65 0.43 -0.34 -1.54 -0.53 0.00 0.00 176.83 175.50 2dmd n SER 78 N -4.89 -0.62 -0.30 6.23 3.41 -1.26 0.65 113.62 116.85 2dmd n SER 78 Ca -0.08 1.26 0.05 0.00 -0.26 0.00 0.00 58.87 59.83 2dmd n SER 78 Cb 0.27 -0.25 0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2dmd n SER 78 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2dmd h GLN 79 N 0.00 0.01 -0.62 4.33 4.20 -2.00 0.38 115.11 121.42 2dmd h GLN 79 Ca 0.09 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2dmd h GLN 79 Cb 0.24 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2dmd h GLN 79 CO -0.55 0.01 0.26 1.25 -0.67 0.00 0.00 178.83 179.13 2dmd h LEU 80 N 0.01 0.84 0.12 1.46 5.85 0.14 -0.57 115.31 123.16 2dmd h LEU 80 Ca 0.42 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2dmd h LEU 80 Cb 0.69 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2dmd h LEU 80 CO -0.85 0.77 -0.43 0.74 -0.34 0.00 0.00 178.44 178.33 2dmd h THR 81 N 0.86 0.14 -0.50 1.05 2.02 0.27 0.07 112.91 116.82 2dmd h THR 81 Ca 0.21 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 2dmd h THR 81 Cb 0.19 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 2dmd h THR 81 CO -0.02 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.53 2dmd h VAL 82 N -0.66 1.23 -0.36 3.16 2.07 -1.25 -2.07 116.25 118.36 2dmd h VAL 82 Ca 0.02 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2dmd h VAL 82 Cb 0.69 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2dmd h VAL 82 CO -0.25 0.31 0.14 -0.74 0.02 0.00 0.00 177.57 177.05 2dmd h HIS 83 N 0.75 0.24 -0.18 1.57 6.17 -0.42 -2.09 115.15 121.20 2dmd h HIS 83 Ca 0.16 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.14 2dmd h HIS 83 Cb 0.34 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 2dmd h HIS 83 CO 0.02 0.11 -0.38 -0.07 0.71 0.00 0.00 177.93 178.31 2dmd h LEU 84 N 0.29 0.40 -2.09 0.26 3.38 -0.80 -2.67 115.31 114.08 2dmd h LEU 84 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dmd h LEU 84 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dmd h LEU 84 CO -0.16 0.75 0.22 0.03 0.09 0.00 0.00 178.44 179.37 2dmd h ARG 85 N 0.33 0.00 0.03 1.13 3.08 -0.66 -1.50 114.38 116.79 2dmd h ARG 85 Ca 0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 2dmd h ARG 85 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2dmd h ARG 85 CO 0.07 0.00 -0.84 0.77 -1.07 0.00 0.00 179.97 178.90 2dmd h SER 86 N 0.00 0.10 0.00 7.04 0.02 -1.37 -3.40 113.55 115.93 2dmd h SER 86 Ca 0.00 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2dmd h SER 86 Cb 0.44 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dmd h SER 86 CO 0.00 1.35 0.00 1.41 -1.14 0.00 0.00 176.83 178.45 2dmd n HIS 87 N -4.37 0.00 -1.34 3.45 8.25 -0.56 -4.50 115.22 116.14 2dmd n HIS 87 Ca -0.22 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.78 2dmd n HIS 87 Cb 0.66 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2dmd n HIS 87 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2dmd n THR 88 N -1.91 1.87 0.00 1.59 5.66 -1.24 -4.90 114.28 115.36 2dmd n THR 88 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 2dmd n THR 88 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2dmd n THR 88 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dmd n GLY 89 N 1.94 0.24 3.56 1.09 0.00 -1.26 -5.03 105.19 105.73 2dmd n GLY 89 Ca 0.17 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 4.33 -0.53 1.61 1.01 -1.26 -4.85 116.67 116.98 2dmd s ASP 90 Ca 0.00 -0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.23 2dmd s ASP 90 Cb 0.00 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.53 2dmd s ASP 90 CO 0.00 -3.44 0.32 -0.44 0.21 0.00 0.00 175.17 171.82 2dmd s SER 91 N 10.08 3.91 0.00 0.27 0.01 -1.26 -4.98 113.70 121.73 2dmd s SER 91 Ca 0.86 -3.09 0.00 0.00 1.31 0.00 0.00 55.95 55.02 2dmd s SER 91 Cb -0.11 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.82 2dmd s SER 91 CO 0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dmd n GLY 92 N 2.95 -1.37 0.00 3.44 0.00 -1.26 -4.97 105.19 103.97 2dmd n GLY 92 Ca 0.13 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.24 2dmd n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmd n PRO 93 N -0.10 0.49 -3.84 1.61 -0.04 -1.26 -4.59 135.00 127.28 2dmd n PRO 93 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2dmd n PRO 93 Cb 0.00 -1.46 -0.16 0.00 -0.04 0.00 0.00 33.50 31.84 2dmd n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmd s SER 94 N -1.96 0.19 0.08 3.54 0.01 -1.26 -5.06 113.70 109.24 2dmd s SER 94 Ca 0.22 0.01 -0.31 0.00 1.31 0.00 0.00 55.95 57.18 2dmd s SER 94 Cb 0.10 -0.12 -0.16 0.00 0.21 0.00 0.00 66.02 66.05 2dmd s SER 94 CO 0.17 -0.11 1.64 0.28 0.41 0.00 0.00 173.24 175.63 2dmd h SER 95 N 7.20 -0.73 0.00 2.44 0.02 -1.94 -3.43 113.55 117.11 2dmd h SER 95 Ca -0.44 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2dmd h SER 95 Cb 1.13 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2dmd h SER 95 CO 0.48 -0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.32