#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 -0.08 0.19 1.61 0.15 -1.26 -5.19 113.70 109.11 2dmd s SER 2 Ca 0.00 -0.52 -0.23 0.00 0.70 0.00 0.00 55.95 55.90 2dmd s SER 2 Cb 0.00 0.47 0.07 0.00 -1.71 0.00 0.00 66.02 64.85 2dmd s SER 2 CO 0.00 -0.91 1.00 -0.94 1.20 0.00 0.00 173.24 173.59 2dmd s SER 3 N -3.16 -0.06 0.00 5.45 1.04 -1.26 -5.19 113.70 110.52 2dmd s SER 3 Ca 0.17 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2dmd s SER 3 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dmd s SER 3 CO 0.03 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2dmd n GLY 4 N -0.60 3.16 3.62 7.32 0.00 -1.26 -5.19 105.19 112.24 2dmd n GLY 4 Ca -0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.76 -0.10 0.04 1.61 0.15 -1.26 -5.19 113.70 108.18 2dmd s SER 5 Ca 0.00 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.27 2dmd s SER 5 Cb 0.00 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 2dmd s SER 5 CO 0.00 -0.33 1.22 -0.94 1.20 0.00 0.00 173.24 174.38 2dmd s SER 6 N -2.71 -0.00 0.00 5.45 1.04 -1.26 -5.19 113.70 111.03 2dmd s SER 6 Ca 0.12 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2dmd s SER 6 Cb 0.02 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dmd s SER 6 CO -0.04 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2dmd n GLY 7 N -0.80 1.21 3.67 7.32 0.00 -1.26 -5.17 105.19 110.16 2dmd n GLY 7 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2dmd n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmd s PRO 8 N -1.33 0.37 -0.12 1.61 0.04 -1.26 -5.06 135.00 129.25 2dmd s PRO 8 Ca 0.00 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.55 2dmd s PRO 8 Cb 0.00 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.82 2dmd s PRO 8 CO 0.00 -2.77 -0.15 -1.01 0.04 0.00 0.00 177.00 173.11 2dmd s HIS 9 N -2.97 2.10 0.01 0.56 3.76 -1.26 -5.13 115.29 112.37 2dmd s HIS 9 Ca 0.65 -1.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 2dmd s HIS 9 Cb -0.19 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 2dmd s HIS 9 CO 0.58 -0.56 -0.11 0.21 -0.85 0.00 0.00 174.74 174.01 2dmd s LYS 10 N 1.14 0.84 0.25 1.40 2.20 -1.26 -3.96 119.74 120.36 2dmd s LYS 10 Ca -0.03 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2dmd s LYS 10 Cb -0.14 -0.81 -0.05 0.00 -1.51 0.00 0.00 37.83 35.31 2dmd s LYS 10 CO -0.05 0.21 0.52 0.00 -0.36 0.00 0.00 175.35 175.67 2dmd n GLU 12 N -0.67 3.42 -0.03 0.00 0.28 -1.26 -3.49 120.64 118.89 2dmd n GLU 12 Ca -0.02 -0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.00 2dmd n GLU 12 Cb 0.53 -1.02 0.35 0.00 1.43 0.00 0.00 31.44 32.74 2dmd n GLU 12 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 2dmd h VAL 13 N 0.00 1.15 0.00 3.84 -1.51 -1.99 -3.35 116.25 114.40 2dmd h VAL 13 Ca -0.01 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2dmd h VAL 13 Cb 0.91 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2dmd h VAL 13 CO 0.00 0.18 -0.70 0.00 -1.23 0.00 0.00 177.57 175.82 2dmd n GLY 15 N 2.41 1.11 3.96 0.00 0.00 -1.23 -5.10 105.19 106.34 2dmd n GLY 15 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.73 3.42 0.10 1.61 1.02 -1.26 -4.88 119.74 118.02 2dmd s LYS 16 Ca 0.00 -0.76 0.08 0.00 0.02 0.00 0.00 55.97 55.31 2dmd s LYS 16 Cb 0.00 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2dmd s LYS 16 CO 0.00 0.44 -0.21 0.00 -0.92 0.00 0.00 175.35 174.66 2dmd s PHE 18 N -1.13 0.03 0.08 0.00 0.08 -1.25 -5.05 117.98 110.73 2dmd s PHE 18 Ca 0.06 -0.05 -0.17 0.00 0.12 0.00 0.00 56.93 56.90 2dmd s PHE 18 Cb -0.10 -0.02 -0.10 0.00 -0.57 0.00 0.00 43.02 42.24 2dmd s PHE 18 CO 0.04 -0.02 1.42 0.77 -0.10 0.00 0.00 175.22 177.33 2dmd h SER 19 N 6.01 0.62 -1.04 1.36 0.02 -2.01 -3.42 113.55 115.07 2dmd h SER 19 Ca -0.25 -0.45 -0.50 0.00 -0.84 0.00 0.00 61.79 59.75 2dmd h SER 19 Cb 1.21 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2dmd h SER 19 CO 0.50 0.94 -0.25 -0.13 -1.14 0.00 0.00 176.83 176.75 2dmd s ARG 20 N -4.43 2.45 -0.06 3.45 0.52 -1.26 -4.96 118.95 114.66 2dmd s ARG 20 Ca -0.13 -1.63 -0.03 0.00 -0.52 0.00 0.00 55.73 53.42 2dmd s ARG 20 Cb 0.08 -2.47 -0.27 0.00 0.52 0.00 0.00 34.95 32.81 2dmd s ARG 20 CO 0.80 -0.52 0.61 1.57 0.02 0.00 0.00 175.30 177.78 2dmd h LYS 21 N 0.62 0.24 -0.67 3.54 5.09 -2.00 -3.38 116.57 120.01 2dmd h LYS 21 Ca -0.36 -0.41 0.11 0.00 0.09 0.00 0.00 60.65 60.08 2dmd h LYS 21 Cb 1.28 0.15 -0.12 0.00 0.10 0.00 0.00 32.23 33.65 2dmd h LYS 21 CO 0.50 1.08 -0.36 0.22 -2.09 0.00 0.00 179.45 178.80 2dmd h ASP 22 N 0.07 -1.28 -0.38 7.07 3.58 -2.00 0.44 116.42 123.92 2dmd h ASP 22 Ca -0.33 0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.44 2dmd h ASP 22 Cb 2.04 0.63 -0.09 0.00 1.72 0.00 0.00 39.33 43.63 2dmd h ASP 22 CO 0.12 -0.31 -0.30 0.11 -2.88 0.00 0.00 179.24 175.99 2dmd h LYS 23 N -0.14 -0.23 -0.27 0.28 1.79 -2.00 -1.53 116.57 114.47 2dmd h LYS 23 Ca 0.24 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.78 2dmd h LYS 23 Cb 0.56 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 2dmd h LYS 23 CO -0.74 -0.15 -0.00 1.25 -1.08 0.00 0.00 179.45 178.72 2dmd h LEU 24 N -0.24 -0.12 -0.35 2.94 5.85 -1.27 0.41 115.31 122.53 2dmd h LEU 24 Ca 0.17 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2dmd h LEU 24 Cb 0.52 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2dmd h LEU 24 CO -0.52 -0.03 -0.20 1.17 -0.34 0.00 0.00 178.44 178.52 2dmd n LYS 25 N -5.16 -0.15 -0.04 1.25 4.81 -0.02 -1.60 118.16 117.25 2dmd n LYS 25 Ca -0.01 1.13 -0.13 0.00 -0.87 0.00 0.00 58.31 58.44 2dmd n LYS 25 Cb 0.14 -1.68 -0.08 0.00 0.02 0.00 0.00 35.03 33.43 2dmd n LYS 25 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2dmd h THR 26 N 0.00 1.36 -0.74 3.15 2.02 -1.39 -3.17 112.91 114.13 2dmd h THR 26 Ca 0.06 -1.21 0.30 0.00 0.77 0.00 0.00 66.41 66.33 2dmd h THR 26 Cb 0.14 1.97 -0.12 0.00 -1.74 0.00 0.00 68.15 68.40 2dmd h THR 26 CO -0.33 0.34 0.42 1.57 0.37 0.00 0.00 175.52 177.89 2dmd n HIS 27 N -4.69 0.76 -0.06 3.16 -0.00 0.14 0.26 115.22 114.78 2dmd n HIS 27 Ca -0.07 0.76 -0.11 0.00 -0.00 0.00 0.00 57.72 58.30 2dmd n HIS 27 Cb 0.31 -1.19 -0.05 0.00 -0.00 0.00 0.00 29.99 29.06 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 0.34 -0.86 1.57 2.86 -1.26 -3.00 114.93 114.58 2dmd h MET 28 Ca 0.59 -0.09 0.31 0.00 -2.06 0.00 0.00 59.70 58.46 2dmd h MET 28 Cb 1.63 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.15 2dmd h MET 28 CO -0.50 0.49 0.53 0.54 1.06 0.00 0.00 176.91 179.03 2dmd n ARG 29 N -4.74 -0.03 0.30 1.72 1.74 0.72 0.13 116.66 116.50 2dmd n ARG 29 Ca -0.04 0.88 -0.15 0.00 -0.77 0.00 0.00 57.85 57.76 2dmd n ARG 29 Cb 0.19 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmd h HIS 31 N -0.97 -0.36 -3.40 0.00 3.86 0.86 -3.44 115.15 111.71 2dmd h HIS 31 Ca -0.08 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.63 2dmd h HIS 31 Cb 0.65 0.14 0.22 0.00 1.06 0.00 0.00 27.41 29.48 2dmd h HIS 31 CO -0.00 -0.21 -0.42 0.25 0.86 0.00 0.00 177.93 178.40 2dmd n THR 32 N -5.26 0.00 -1.78 2.45 -2.24 -0.42 -4.54 114.28 102.49 2dmd n THR 32 Ca -0.07 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2dmd n THR 32 Cb 0.18 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2dmd n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmd n GLY 33 N 1.26 -0.71 2.37 3.38 0.00 -1.26 -4.91 105.19 105.32 2dmd n GLY 33 Ca 0.06 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2dmd n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dmd n VAL 34 N -0.68 2.99 -2.54 1.61 0.24 -1.26 -4.88 118.33 113.80 2dmd n VAL 34 Ca 0.02 -4.05 -0.08 0.00 -2.04 0.00 0.00 64.34 58.19 2dmd n VAL 34 Cb 0.22 -1.19 0.04 0.00 -1.47 0.00 0.00 33.84 31.44 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 -0.68 -2.27 0.00 7.34 5.02 -1.26 -4.90 118.16 121.40 2dmd n LYS 35 Ca 0.50 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 57.28 2dmd n LYS 35 Cb 0.68 -3.90 0.44 0.00 -0.02 0.00 0.00 35.03 32.22 2dmd n LYS 35 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2dmd n PRO 36 N -2.44 0.49 -3.37 1.97 -0.04 -1.26 -4.45 135.00 125.89 2dmd n PRO 36 Ca -0.09 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.92 2dmd n PRO 36 Cb 0.57 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 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 3.37 0.18 0.54 2.02 -1.25 -5.05 117.35 115.17 2dmd s TYR 37 Ca 0.22 -1.55 0.11 0.00 -0.37 0.00 0.00 57.07 55.48 2dmd s TYR 37 Cb 0.10 -3.74 -0.04 0.00 -0.40 0.00 0.00 41.96 37.88 2dmd s TYR 37 CO 0.17 -1.01 -0.24 0.15 -1.57 0.00 0.00 175.55 173.05 2dmd s LYS 38 N 1.27 1.52 0.04 -0.62 3.01 -1.26 -1.64 119.74 122.05 2dmd s LYS 38 Ca 0.06 -1.49 -0.30 0.00 -1.01 0.00 0.00 55.97 53.23 2dmd s LYS 38 Cb -0.26 -1.87 -0.04 0.00 -1.01 0.00 0.00 37.83 34.65 2dmd s LYS 38 CO 0.00 0.41 1.05 0.00 0.51 0.00 0.00 175.35 177.32 2dmd h LYS 40 N 6.54 0.00 0.00 0.00 -0.00 -1.99 -3.24 116.57 117.88 2dmd h LYS 40 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 2dmd h LYS 40 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 2dmd h LYS 40 CO 0.76 0.00 -0.60 2.41 -0.00 0.00 0.00 179.45 182.02 2dmd n THR 41 N -3.06 1.28 -1.71 0.07 -1.04 -1.26 -5.04 114.28 103.52 2dmd n THR 41 Ca -0.03 0.24 -0.30 0.00 -2.04 0.00 0.00 64.05 61.93 2dmd n THR 41 Cb 0.13 -2.02 0.08 0.00 -1.82 0.00 0.00 70.33 66.71 2dmd n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmd n ASP 43 N -3.34 5.61 -4.85 0.00 8.00 -1.26 -3.84 116.55 116.86 2dmd n ASP 43 Ca 0.07 -3.74 -0.34 0.00 0.71 0.00 0.00 54.79 51.49 2dmd n ASP 43 Cb 0.58 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 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 3.52 -0.12 1.24 5.04 -1.26 -4.97 117.35 117.21 2dmd s TYR 44 Ca 0.58 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 2dmd s TYR 44 Cb 0.47 -2.37 0.02 0.00 0.35 0.00 0.00 41.96 40.43 2dmd s TYR 44 CO 0.03 0.33 -0.15 0.00 -1.34 0.00 0.00 175.55 174.42 2dmd s ALA 45 N -1.65 1.73 -0.13 3.97 0.00 -1.26 -3.24 121.76 121.18 2dmd s ALA 45 Ca 0.43 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2dmd s ALA 45 Cb -0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2dmd s ALA 45 CO 0.20 -0.15 -0.14 0.00 0.00 0.00 0.00 175.76 175.66 2dmd s ALA 46 N 1.12 2.57 -0.10 0.00 0.00 -0.65 -5.00 121.76 119.69 2dmd s ALA 46 Ca -0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2dmd s ALA 46 Cb -0.14 -1.19 0.09 0.00 0.00 0.00 0.00 23.12 21.87 2dmd s ALA 46 CO -0.04 0.20 1.79 0.00 0.00 0.00 0.00 175.76 177.72 2dmd n ALA 47 N 3.61 4.05 -3.64 0.00 0.00 -1.26 -3.82 120.51 119.45 2dmd n ALA 47 Ca -0.18 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.65 2dmd n ALA 47 Cb 0.53 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 2dmd n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dmd s ASP 48 N 1.16 -0.46 0.18 0.00 2.15 -1.26 -4.92 116.67 113.53 2dmd s ASP 48 Ca 0.11 0.78 -0.14 0.00 0.43 0.00 0.00 52.55 53.73 2dmd s ASP 48 Cb 0.09 1.05 0.17 0.00 -0.30 0.00 0.00 42.92 43.93 2dmd s ASP 48 CO 0.00 -0.13 1.70 -1.28 -0.17 0.00 0.00 175.17 175.29 2dmd h SER 49 N 5.34 -0.12 -0.25 -0.34 0.87 -1.98 -2.04 113.55 115.04 2dmd h SER 49 Ca -0.28 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 2dmd h SER 49 Cb 1.19 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 2dmd h SER 49 CO 0.17 -0.03 0.12 0.28 -0.53 0.00 0.00 176.83 176.84 2dmd h SER 50 N 0.16 0.32 -0.74 6.23 0.02 -1.97 -2.60 113.55 114.97 2dmd h SER 50 Ca 0.24 -0.12 0.14 0.00 -0.84 0.00 0.00 61.79 61.21 2dmd h SER 50 Cb 0.34 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 62.65 2dmd h SER 50 CO -0.36 0.35 -0.23 0.28 -1.14 0.00 0.00 176.83 175.73 2dmd h SER 51 N 0.27 -0.84 -0.66 3.07 0.02 -1.77 0.37 113.55 114.01 2dmd h SER 51 Ca 0.08 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 2dmd h SER 51 Cb 0.11 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 2dmd h SER 51 CO -0.01 -0.26 0.24 0.25 -1.14 0.00 0.00 176.83 175.90 2dmd h LEU 52 N -0.03 0.95 -1.38 5.07 5.85 -1.32 -2.42 115.31 122.02 2dmd h LEU 52 Ca 0.34 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2dmd h LEU 52 Cb 0.56 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2dmd h LEU 52 CO -0.78 0.87 0.36 0.78 -0.34 0.00 0.00 178.44 179.33 2dmd h ASN 53 N 1.00 0.68 0.89 1.25 4.21 0.04 -0.04 115.58 123.61 2dmd h ASN 53 Ca 0.23 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.71 2dmd h ASN 53 Cb 0.24 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2dmd h ASN 53 CO -0.01 0.52 0.00 0.29 -1.29 0.00 0.00 177.43 176.93 2dmd n LYS 54 N -4.43 0.15 0.03 0.81 4.76 -0.11 -2.78 118.16 116.59 2dmd n LYS 54 Ca 0.06 0.29 -0.12 0.00 -2.87 0.00 0.00 58.31 55.67 2dmd n LYS 54 Cb 0.07 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.38 2dmd n LYS 54 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2dmd h HIS 55 N 0.00 0.17 0.00 2.13 2.76 -0.85 -3.31 115.15 116.05 2dmd h HIS 55 Ca 0.00 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.04 2dmd h HIS 55 Cb 0.44 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2dmd h HIS 55 CO 0.00 1.17 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.70 2dmd h LEU 56 N 0.03 0.00 -0.05 0.26 3.38 -1.30 -2.52 115.31 115.11 2dmd h LEU 56 Ca -0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dmd h LEU 56 Cb 1.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 2dmd h LEU 56 CO 0.12 0.03 -0.03 0.03 0.09 0.00 0.00 178.44 178.68 2dmd h ARG 57 N 0.00 0.10 -1.52 1.13 -0.00 -1.67 -3.01 114.38 109.41 2dmd h ARG 57 Ca -0.00 -0.05 0.45 0.00 -0.50 0.00 0.00 59.98 59.88 2dmd h ARG 57 Cb 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 29.97 29.98 2dmd h ARG 57 CO 0.00 0.50 1.07 -0.84 0.00 0.00 0.00 179.97 180.71 2dmd h ILE 58 N -0.30 0.20 0.54 2.04 3.07 -1.61 0.11 117.51 121.56 2dmd h ILE 58 Ca 0.01 -0.01 -0.03 0.00 1.55 0.00 0.00 64.86 66.38 2dmd h ILE 58 Cb 0.47 0.16 0.01 0.00 -0.27 0.00 0.00 36.82 37.19 2dmd h ILE 58 CO 0.01 0.01 -0.26 0.45 -1.05 0.00 0.00 178.15 177.31 2dmd h HIS 59 N 0.04 -0.67 -4.08 0.16 3.86 -1.62 -3.45 115.15 109.40 2dmd h HIS 59 Ca 0.76 -0.02 -0.43 0.00 -1.16 0.00 0.00 60.37 59.53 2dmd h HIS 59 Cb 2.89 0.22 -0.27 0.00 1.06 0.00 0.00 27.41 31.31 2dmd h HIS 59 CO -0.00 -0.34 -0.79 -1.54 0.86 0.00 0.00 177.93 176.12 2dmd s SER 60 N -4.70 1.40 1.01 2.45 1.04 0.37 -5.14 113.70 110.14 2dmd s SER 60 Ca -0.15 -0.30 -0.16 0.00 0.48 0.00 0.00 55.95 55.82 2dmd s SER 60 Cb 0.02 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2dmd s SER 60 CO 0.51 0.09 0.04 0.47 0.98 0.00 0.00 173.24 175.32 2dmd n ASP 61 N 2.44 -2.65 -4.67 7.02 9.92 -1.26 -4.60 116.55 122.75 2dmd n ASP 61 Ca -0.16 0.15 -0.30 0.00 -0.53 0.00 0.00 54.79 53.95 2dmd n ASP 61 Cb 0.56 -1.04 0.16 0.00 -0.64 0.00 0.00 41.12 40.16 2dmd n ASP 61 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2dmd s GLU 62 N -3.31 0.94 0.48 -1.24 2.02 -1.26 -4.97 118.70 111.37 2dmd s GLU 62 Ca 0.54 1.08 -0.23 0.00 0.02 0.00 0.00 54.97 56.38 2dmd s GLU 62 Cb -0.16 -1.75 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 2dmd s GLU 62 CO 0.69 -2.53 1.26 1.03 0.02 0.00 0.00 175.26 175.72 2dmd s ARG 63 N -4.76 3.55 0.04 1.61 3.00 -1.26 -4.96 118.95 116.17 2dmd s ARG 63 Ca 0.65 2.01 -0.20 0.00 0.00 0.00 0.00 55.73 58.19 2dmd s ARG 63 Cb -0.20 -2.40 -0.14 0.00 0.00 0.00 0.00 34.95 32.20 2dmd s ARG 63 CO 0.58 -0.79 1.35 -1.00 0.00 0.00 0.00 175.30 175.45 2dmd h PRO 64 N 1.91 0.38 -6.71 3.54 0.13 -1.87 -3.44 132.00 125.95 2dmd h PRO 64 Ca -0.50 -0.20 -0.50 0.00 -0.87 0.00 0.00 66.00 63.93 2dmd h PRO 64 Cb 1.27 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2dmd h PRO 64 CO 0.59 0.76 0.28 -0.06 -0.23 0.00 0.00 178.00 179.34 2dmd s PHE 65 N -4.31 3.87 -0.12 1.56 0.08 -1.24 -5.04 117.98 112.78 2dmd s PHE 65 Ca -0.14 1.76 -0.09 0.00 0.12 0.00 0.00 56.93 58.58 2dmd s PHE 65 Cb 0.05 -2.88 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2dmd s PHE 65 CO 0.76 0.40 0.30 0.15 -0.10 0.00 0.00 175.22 176.73 2dmd s LYS 66 N -1.45 0.33 0.75 0.44 1.02 -1.26 -3.02 119.74 116.55 2dmd s LYS 66 Ca 0.42 0.47 -0.11 0.00 0.02 0.00 0.00 55.97 56.77 2dmd s LYS 66 Cb -0.23 0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.23 2dmd s LYS 66 CO 0.27 -0.07 1.08 0.00 -0.92 0.00 0.00 175.35 175.71 2dmd n GLN 68 N -3.36 0.57 0.15 0.00 6.02 -1.26 -4.49 117.38 115.01 2dmd n GLN 68 Ca 0.08 0.53 -0.14 0.00 -0.01 0.00 0.00 57.00 57.46 2dmd n GLN 68 Cb 0.54 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 2dmd n GLN 68 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2dmd h ILE 69 N -0.99 0.79 -3.15 5.09 5.03 -2.01 -3.44 117.51 118.83 2dmd h ILE 69 Ca -0.40 -0.23 -0.63 0.00 -0.12 0.00 0.00 64.86 63.48 2dmd h ILE 69 Cb 1.36 0.92 -0.14 0.00 -3.03 0.00 0.00 36.82 35.93 2dmd h ILE 69 CO -0.24 0.05 -0.71 0.00 -0.68 0.00 0.00 178.15 176.58 2dmd n PRO 71 N 0.22 0.49 -0.90 0.00 -0.04 -1.26 -3.90 135.00 129.61 2dmd n PRO 71 Ca -0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 2dmd n PRO 71 Cb 0.54 -1.27 0.08 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.77 -2.00 -3.62 0.54 9.36 -1.26 -4.76 117.16 114.65 2dmd n TYR 72 Ca 0.06 0.38 -0.14 0.00 3.32 0.00 0.00 57.90 61.53 2dmd n TYR 72 Cb 0.03 -1.47 -0.07 0.00 -0.63 0.00 0.00 39.34 37.20 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 -2.09 -1.81 0.08 2.98 0.00 -1.26 -3.15 121.76 116.51 2dmd s ALA 73 Ca 0.44 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.40 2dmd s ALA 73 Cb -0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2dmd s ALA 73 CO 0.69 -0.33 -0.11 -1.54 0.00 0.00 0.00 175.76 174.47 2dmd s SER 74 N 0.25 1.43 0.20 0.00 1.04 -1.17 -5.00 113.70 110.46 2dmd s SER 74 Ca -0.00 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.78 2dmd s SER 74 Cb -0.05 -0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.20 2dmd s SER 74 CO 0.01 -0.18 1.48 0.08 0.98 0.00 0.00 173.24 175.61 2dmd h ARG 75 N 4.04 0.23 -5.61 4.02 0.11 -1.96 -3.29 114.38 111.92 2dmd h ARG 75 Ca -0.38 -0.19 -0.62 0.00 0.10 0.00 0.00 59.98 58.88 2dmd h ARG 75 Cb 1.19 0.04 -0.11 0.00 1.11 0.00 0.00 29.97 32.21 2dmd h ARG 75 CO 0.45 0.86 -0.50 0.54 0.10 0.00 0.00 179.97 181.42 2dmd s ASN 76 N -6.91 4.22 -0.12 0.08 2.20 -1.26 -4.78 114.94 108.37 2dmd s ASN 76 Ca -0.04 -1.37 -0.21 0.00 -0.94 0.00 0.00 52.86 50.31 2dmd s ASN 76 Cb 0.11 0.01 -0.27 0.00 -2.00 0.00 0.00 41.25 39.10 2dmd s ASN 76 CO 0.81 -0.71 0.62 0.77 -2.94 0.00 0.00 177.10 175.65 2dmd h SER 77 N 1.39 0.26 -0.90 3.54 4.64 -2.01 -3.37 113.55 117.10 2dmd h SER 77 Ca -0.43 -0.85 0.09 0.00 -0.47 0.00 0.00 61.79 60.14 2dmd h SER 77 Cb 1.28 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2dmd h SER 77 CO 0.72 1.42 -0.50 -1.20 -0.87 0.00 0.00 176.83 176.40 2dmd n SER 78 N -4.19 -0.89 -0.22 4.97 7.64 -1.26 -0.10 113.62 119.57 2dmd n SER 78 Ca -0.21 1.59 -0.05 0.00 1.01 0.00 0.00 58.87 61.21 2dmd n SER 78 Cb 0.76 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2dmd n SER 78 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dmd h GLN 79 N 0.00 -0.15 -0.73 1.43 1.08 -2.01 0.14 115.11 114.87 2dmd h GLN 79 Ca 0.17 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.52 2dmd h GLN 79 Cb 0.40 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 27.77 2dmd h GLN 79 CO -0.85 -0.10 0.26 1.25 -0.95 0.00 0.00 178.83 178.44 2dmd h LEU 80 N -0.16 0.20 -0.60 1.46 5.85 -0.67 0.19 115.31 121.59 2dmd h LEU 80 Ca 0.23 0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.19 2dmd h LEU 80 Cb 0.56 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.60 2dmd h LEU 80 CO -0.71 0.07 0.02 0.74 -0.34 0.00 0.00 178.44 178.22 2dmd h THR 81 N 0.39 0.53 0.21 1.05 2.02 0.27 -1.27 112.91 116.11 2dmd h THR 81 Ca 0.40 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 2dmd h THR 81 Cb 0.61 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2dmd h THR 81 CO -0.42 0.03 -0.10 0.58 0.37 0.00 0.00 175.52 175.98 2dmd h VAL 82 N 0.14 0.36 -0.84 3.16 2.07 -0.86 -3.32 116.25 116.95 2dmd h VAL 82 Ca 0.31 -0.95 0.22 0.00 0.82 0.00 0.00 66.70 67.09 2dmd h VAL 82 Cb 0.50 0.62 -0.16 0.00 -1.52 0.00 0.00 31.29 30.73 2dmd h VAL 82 CO -0.49 0.10 -0.04 1.57 0.02 0.00 0.00 177.57 178.73 2dmd n HIS 83 N -4.96 0.48 -0.26 1.57 -0.00 0.54 0.10 115.22 112.69 2dmd n HIS 83 Ca -0.06 1.02 0.04 0.00 -0.00 0.00 0.00 57.72 58.72 2dmd n HIS 83 Cb 0.19 -1.10 0.13 0.00 -0.00 0.00 0.00 29.99 29.21 2dmd n HIS 83 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dmd h LEU 84 N 0.00 -0.54 -1.64 0.27 3.38 -1.33 0.32 115.31 115.77 2dmd h LEU 84 Ca 0.48 0.22 0.49 0.00 0.09 0.00 0.00 57.88 59.16 2dmd h LEU 84 Cb 0.95 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 2dmd h LEU 84 CO -0.81 -0.23 1.16 0.54 0.09 0.00 0.00 178.44 179.20 2dmd n ARG 85 N -5.43 -0.01 -0.03 1.13 1.74 0.29 0.96 116.66 115.31 2dmd n ARG 85 Ca 0.12 0.98 -0.08 0.00 -0.77 0.00 0.00 57.85 58.10 2dmd n ARG 85 Cb 0.44 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 2dmd n ARG 85 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dmd h SER 86 N 0.00 -0.31 -0.79 0.55 0.87 -0.48 -3.33 113.55 110.05 2dmd h SER 86 Ca 0.82 0.07 -0.39 0.00 -1.23 0.00 0.00 61.79 61.06 2dmd h SER 86 Cb 3.17 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 65.24 2dmd h SER 86 CO -0.09 -0.12 1.03 -1.00 -0.53 0.00 0.00 176.83 176.12 2dmd s HIS 87 N -6.18 2.05 -0.28 2.24 3.76 0.27 -4.86 115.29 112.29 2dmd s HIS 87 Ca -0.14 0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.70 2dmd s HIS 87 Cb 0.11 -4.23 0.08 0.00 1.11 0.00 0.00 32.58 29.65 2dmd s HIS 87 CO 0.68 -1.73 0.76 0.95 -0.85 0.00 0.00 174.74 174.55 2dmd s THR 88 N 8.68 0.00 -1.20 1.30 -4.23 -1.25 -4.99 115.64 113.94 2dmd s THR 88 Ca 0.63 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.92 2dmd s THR 88 Cb -0.04 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2dmd s THR 88 CO -0.01 0.00 0.70 0.61 -0.54 0.00 0.00 174.62 175.38 2dmd n GLY 89 N 3.20 -0.84 3.73 3.99 0.00 -1.26 -4.90 105.19 109.11 2dmd n GLY 89 Ca -0.16 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.61 4.05 -0.07 1.61 1.01 -1.26 -5.04 116.67 113.37 2dmd s ASP 90 Ca 0.42 2.13 0.05 0.00 0.71 0.00 0.00 52.55 55.87 2dmd s ASP 90 Cb -0.18 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.18 2dmd s ASP 90 CO 0.90 -2.35 -0.24 -0.55 0.21 0.00 0.00 175.17 173.15 2dmd s SER 91 N -2.61 3.14 0.00 0.27 0.15 -1.26 -5.05 113.70 108.33 2dmd s SER 91 Ca 0.68 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2dmd s SER 91 Cb -0.23 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2dmd s SER 91 CO 0.51 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.79 2dmd n GLY 92 N 3.05 -1.77 3.75 9.45 0.00 -1.26 -4.91 105.19 113.50 2dmd n GLY 92 Ca -0.18 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 4.43 -0.19 1.61 0.04 -1.26 -4.99 135.00 134.63 2dmd s PRO 93 Ca 0.00 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 2dmd s PRO 93 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2dmd s PRO 93 CO 0.00 -0.15 0.84 -1.54 0.04 0.00 0.00 177.00 176.19 2dmd s SER 94 N -0.11 6.93 -1.61 6.66 1.04 -1.26 -3.92 113.70 121.42 2dmd s SER 94 Ca 0.52 1.14 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 2dmd s SER 94 Cb -0.36 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.41 2dmd s SER 94 CO 0.43 -0.44 0.77 -0.24 0.98 0.00 0.00 173.24 174.73 2dmd n SER 95 N 5.49 -3.08 0.00 7.02 2.88 -1.26 -5.26 113.62 119.41 2dmd n SER 95 Ca 0.05 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 2dmd n SER 95 Cb 0.48 -3.09 0.00 0.00 -0.75 0.00 0.00 64.21 60.85 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42