#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 0.38 0.31 1.61 0.01 -1.26 -5.19 113.70 109.57 2dmd s SER 2 Ca 0.00 -1.23 -0.11 0.00 1.31 0.00 0.00 55.95 55.93 2dmd s SER 2 Cb 0.00 0.70 0.01 0.00 0.21 0.00 0.00 66.02 66.94 2dmd s SER 2 CO 0.00 -1.36 0.56 -0.55 0.41 0.00 0.00 173.24 172.30 2dmd s SER 3 N -3.13 0.24 0.00 2.44 0.15 -1.26 -5.19 113.70 106.96 2dmd s SER 3 Ca 0.24 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2dmd s SER 3 Cb -0.02 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2dmd s SER 3 CO 0.15 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.87 2dmd n GLY 4 N -0.48 5.32 3.77 9.45 0.00 -1.26 -5.19 105.19 116.80 2dmd n GLY 4 Ca -0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 2dmd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmd s SER 5 N 1.00 -0.12 0.36 1.61 1.04 -1.26 -5.19 113.70 111.13 2dmd s SER 5 Ca 0.00 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 55.89 2dmd s SER 5 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2dmd s SER 5 CO 0.00 -0.86 0.63 -0.94 0.98 0.00 0.00 173.24 173.06 2dmd s SER 6 N -3.05 0.38 -0.32 7.02 1.04 -1.26 -5.15 113.70 112.36 2dmd s SER 6 Ca 0.15 -1.26 -0.09 0.00 0.48 0.00 0.00 55.95 55.23 2dmd s SER 6 Cb -0.01 0.75 0.19 0.00 0.10 0.00 0.00 66.02 67.05 2dmd s SER 6 CO 0.02 -1.48 1.06 -0.83 0.98 0.00 0.00 173.24 173.00 2dmd s GLY 7 N -3.13 -1.58 0.00 7.32 0.00 -1.26 -5.17 107.32 103.49 2dmd s GLY 7 Ca 0.22 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.19 2dmd s GLY 7 CO 0.15 4.32 0.00 -1.55 0.00 0.00 0.00 173.10 176.02 2dmd n PRO 8 N 3.60 -0.85 -3.92 2.90 -0.04 -1.26 -5.04 135.00 130.39 2dmd n PRO 8 Ca 0.06 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 2dmd n PRO 8 Cb 0.64 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.04 2dmd n PRO 8 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dmd s HIS 9 N -0.91 3.56 -0.06 0.54 3.76 -1.26 -5.10 115.29 115.81 2dmd s HIS 9 Ca 0.00 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 55.39 2dmd s HIS 9 Cb 0.00 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.81 2dmd s HIS 9 CO 0.00 0.70 -0.06 0.21 -0.85 0.00 0.00 174.74 174.74 2dmd s LYS 10 N -1.23 1.04 0.96 1.40 2.20 -1.26 -3.87 119.74 118.97 2dmd s LYS 10 Ca 0.18 -0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 2dmd s LYS 10 Cb -0.12 -1.03 0.17 0.00 -1.51 0.00 0.00 37.83 35.34 2dmd s LYS 10 CO 0.07 -0.10 1.11 0.00 -0.36 0.00 0.00 175.35 176.08 2dmd n GLU 12 N -4.33 2.12 0.11 0.00 0.28 -1.26 -4.08 120.64 113.48 2dmd n GLU 12 Ca 0.09 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.91 2dmd n GLU 12 Cb 0.53 -0.81 -0.14 0.00 1.43 0.00 0.00 31.44 32.45 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 1.45 0.00 3.84 -1.51 -1.93 -3.42 116.25 114.68 2dmd h VAL 13 Ca 0.00 -2.98 0.00 0.00 -1.23 0.00 0.00 66.70 62.49 2dmd h VAL 13 Cb 0.00 2.97 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 2dmd h VAL 13 CO 0.00 0.87 -0.76 0.00 -1.23 0.00 0.00 177.57 176.45 2dmd n GLY 15 N 3.00 0.53 3.71 0.00 0.00 -1.26 -5.02 105.19 106.14 2dmd n GLY 15 Ca 0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.24 3.51 0.54 1.61 2.47 -1.26 -4.89 119.74 121.48 2dmd s LYS 16 Ca 0.00 -0.32 -0.17 0.00 -1.56 0.00 0.00 55.97 53.92 2dmd s LYS 16 Cb 0.00 -3.06 -0.06 0.00 -1.46 0.00 0.00 37.83 33.25 2dmd s LYS 16 CO 0.00 0.54 1.03 0.00 0.16 0.00 0.00 175.35 177.08 2dmd s PHE 18 N -2.36 1.14 -0.11 0.00 0.08 -1.25 -5.02 117.98 110.46 2dmd s PHE 18 Ca 0.63 -1.31 0.00 0.00 0.12 0.00 0.00 56.93 56.37 2dmd s PHE 18 Cb -0.14 -0.37 -0.07 0.00 -0.57 0.00 0.00 43.02 41.87 2dmd s PHE 18 CO 0.30 -0.85 -0.10 0.45 -0.10 0.00 0.00 175.22 174.92 2dmd n SER 19 N -0.80 3.03 -3.89 1.36 2.88 -1.26 -4.71 113.62 110.23 2dmd n SER 19 Ca 0.02 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.26 2dmd n SER 19 Cb 0.64 -0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 63.84 2dmd n SER 19 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dmd s ARG 20 N -2.22 1.97 0.04 -1.46 3.00 -1.26 -4.86 118.95 114.16 2dmd s ARG 20 Ca -0.15 -2.20 -0.16 0.00 0.00 0.00 0.00 55.73 53.21 2dmd s ARG 20 Cb 0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 34.95 34.35 2dmd s ARG 20 CO 0.25 -0.57 1.14 -0.22 0.00 0.00 0.00 175.30 175.91 2dmd h LYS 21 N 1.78 0.58 -0.87 3.54 1.63 -1.99 -3.28 116.57 117.96 2dmd h LYS 21 Ca -0.32 -0.65 0.23 0.00 -0.85 0.00 0.00 60.65 59.06 2dmd h LYS 21 Cb 1.27 0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 32.95 2dmd h LYS 21 CO 0.50 1.25 0.28 0.38 -3.45 0.00 0.00 179.45 178.41 2dmd h ASP 22 N 0.19 0.10 -0.56 4.20 3.04 -2.00 0.25 116.42 121.63 2dmd h ASP 22 Ca -0.12 0.18 0.06 0.00 -3.24 0.00 0.00 57.03 53.91 2dmd h ASP 22 Cb 1.58 0.22 -0.05 0.00 -1.04 0.00 0.00 39.33 40.04 2dmd h ASP 22 CO 0.18 -0.11 0.28 0.11 -2.04 0.00 0.00 179.24 177.65 2dmd h LYS 23 N 0.26 0.51 0.06 4.15 1.57 -1.99 -2.79 116.57 118.34 2dmd h LYS 23 Ca 0.55 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2dmd h LYS 23 Cb 1.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2dmd h LYS 23 CO -0.61 0.33 -0.03 1.25 -0.57 0.00 0.00 179.45 179.82 2dmd h LEU 24 N 0.52 -0.07 -0.70 2.94 7.12 -0.70 -0.60 115.31 123.82 2dmd h LEU 24 Ca 0.26 -0.27 0.11 0.00 0.13 0.00 0.00 57.88 58.11 2dmd h LEU 24 Cb 0.20 0.02 -0.11 0.00 -0.53 0.00 0.00 40.66 40.23 2dmd h LEU 24 CO -0.19 0.23 -0.28 1.17 -0.13 0.00 0.00 178.44 179.24 2dmd n LYS 25 N -4.99 -0.17 0.12 1.25 4.81 -0.20 0.41 118.16 119.40 2dmd n LYS 25 Ca -0.08 1.08 -0.24 0.00 -0.87 0.00 0.00 58.31 58.20 2dmd n LYS 25 Cb 0.18 -1.60 -0.15 0.00 0.02 0.00 0.00 35.03 33.49 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 1.28 -1.22 3.15 2.02 -1.54 -3.30 112.91 113.30 2dmd h THR 26 Ca 0.24 -2.60 0.43 0.00 0.77 0.00 0.00 66.41 65.25 2dmd h THR 26 Cb 0.41 2.88 -0.13 0.00 -1.74 0.00 0.00 68.15 69.57 2dmd h THR 26 CO -0.69 0.78 0.78 1.57 0.37 0.00 0.00 175.52 178.33 2dmd n HIS 27 N -3.75 0.68 -0.08 3.16 -0.00 0.17 0.18 115.22 115.58 2dmd n HIS 27 Ca -0.15 0.68 -0.11 0.00 -0.00 0.00 0.00 57.72 58.14 2dmd n HIS 27 Cb 1.05 -1.11 -0.05 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.43 -0.81 1.57 2.86 -1.46 -3.17 114.93 114.34 2dmd h MET 28 Ca 0.80 -0.14 0.16 0.00 -2.06 0.00 0.00 59.70 58.45 2dmd h MET 28 Cb 2.54 -0.03 -0.15 0.00 0.06 0.00 0.00 31.60 34.01 2dmd h MET 28 CO -0.45 0.62 -0.22 0.54 1.06 0.00 0.00 176.91 178.47 2dmd n ARG 29 N -4.63 -0.09 0.39 1.72 1.74 0.48 -0.27 116.66 116.01 2dmd n ARG 29 Ca -0.04 1.27 -0.19 0.00 -0.77 0.00 0.00 57.85 58.12 2dmd n ARG 29 Cb 0.26 -1.89 -0.10 0.00 -1.02 0.00 0.00 32.46 29.71 2dmd n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmd n HIS 31 N -5.50 1.51 -3.66 0.00 8.25 0.63 -4.90 115.22 111.55 2dmd n HIS 31 Ca -0.14 0.57 -0.10 0.00 -0.26 0.00 0.00 57.72 57.79 2dmd n HIS 31 Cb 0.48 -2.41 -0.08 0.00 1.12 0.00 0.00 29.99 29.10 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 5.96 -0.01 0.00 1.59 -1.32 -1.26 -4.97 115.64 115.63 2dmd s THR 32 Ca 1.12 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.62 2dmd s THR 32 Cb -1.18 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 2dmd s THR 32 CO 0.60 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.63 2dmd n GLY 33 N 3.79 1.42 1.73 6.08 0.00 -1.26 -5.02 105.19 111.93 2dmd n GLY 33 Ca -0.19 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 2.42 -3.78 1.61 0.24 -1.26 -4.61 118.33 112.89 2dmd n VAL 34 Ca 0.00 -1.06 -0.29 0.00 -2.04 0.00 0.00 64.34 60.95 2dmd n VAL 34 Cb 0.00 -1.56 -0.12 0.00 -1.47 0.00 0.00 33.84 30.68 2dmd n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2dmd s LYS 35 N -0.28 1.83 0.00 7.34 3.01 -1.26 -4.91 119.74 125.47 2dmd s LYS 35 Ca 0.22 -2.69 0.12 0.00 -1.01 0.00 0.00 55.97 52.61 2dmd s LYS 35 Cb 0.13 -2.81 0.73 0.00 -1.01 0.00 0.00 37.83 34.86 2dmd s LYS 35 CO -0.01 -1.24 1.15 -0.35 0.51 0.00 0.00 175.35 175.41 2dmd n PRO 36 N 2.70 0.49 -3.89 -1.68 -0.04 -1.26 -4.26 135.00 127.06 2dmd n PRO 36 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2dmd n PRO 36 Cb 0.36 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 3.31 0.06 0.54 2.02 -1.26 -5.06 117.35 114.97 2dmd s TYR 37 Ca 0.18 -3.02 0.06 0.00 -0.37 0.00 0.00 57.07 53.92 2dmd s TYR 37 Cb 0.08 -2.94 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 2dmd s TYR 37 CO 0.14 -0.79 -0.17 0.15 -1.57 0.00 0.00 175.55 173.30 2dmd s LYS 38 N -0.07 1.06 0.70 -0.62 1.02 -1.26 0.09 119.74 120.67 2dmd s LYS 38 Ca 0.16 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 55.06 2dmd s LYS 38 Cb -0.24 -1.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 2dmd s LYS 38 CO -0.02 0.28 1.16 0.00 -0.92 0.00 0.00 175.35 175.85 2dmd h LYS 40 N -0.18 -0.21 0.05 0.00 1.79 -1.95 -3.39 116.57 112.67 2dmd h LYS 40 Ca -0.47 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 2dmd h LYS 40 Cb 1.27 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2dmd h LYS 40 CO 0.51 0.15 -0.35 0.00 -1.08 0.00 0.00 179.45 178.68 2dmd h THR 41 N -0.95 1.65 -4.30 -0.16 1.03 -1.94 -3.47 112.91 104.76 2dmd h THR 41 Ca -0.02 -2.40 -0.48 0.00 -0.01 0.00 0.00 66.41 63.50 2dmd h THR 41 Cb 0.46 3.26 0.11 0.00 -1.07 0.00 0.00 68.15 70.91 2dmd h THR 41 CO 0.04 0.63 0.34 0.00 -0.01 0.00 0.00 175.52 176.52 2dmd n ASP 43 N -3.46 3.76 -4.85 0.00 -0.08 -1.26 -4.25 116.55 106.41 2dmd n ASP 43 Ca 0.07 -3.77 -0.32 0.00 -1.51 0.00 0.00 54.79 49.26 2dmd n ASP 43 Cb 0.57 -0.67 -0.06 0.00 2.34 0.00 0.00 41.12 43.31 2dmd n ASP 43 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2dmd s TYR 44 N -3.40 3.39 -0.01 -0.67 5.04 -1.26 -4.97 117.35 115.46 2dmd s TYR 44 Ca 0.50 1.15 0.08 0.00 -2.44 0.00 0.00 57.07 56.36 2dmd s TYR 44 Cb 0.43 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 40.24 2dmd s TYR 44 CO 0.02 0.10 -0.26 0.00 -1.34 0.00 0.00 175.55 174.07 2dmd s ALA 45 N -1.99 2.18 -0.06 3.97 0.00 -1.26 -2.90 121.76 121.70 2dmd s ALA 45 Ca 0.53 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2dmd s ALA 45 Cb -0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2dmd s ALA 45 CO 0.19 0.53 -0.22 0.00 0.00 0.00 0.00 175.76 176.26 2dmd s ALA 46 N -0.63 2.30 0.26 0.00 0.00 0.11 -5.00 121.76 118.81 2dmd s ALA 46 Ca 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2dmd s ALA 46 Cb -0.10 -0.78 0.34 0.00 0.00 0.00 0.00 23.12 22.59 2dmd s ALA 46 CO -0.01 0.43 1.66 0.00 0.00 0.00 0.00 175.76 177.85 2dmd h ALA 47 N 5.97 1.00 -2.67 0.00 0.00 -1.91 -3.35 119.26 118.31 2dmd h ALA 47 Ca -0.34 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 2dmd h ALA 47 Cb 1.17 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2dmd h ALA 47 CO 0.49 0.60 -0.50 0.34 0.00 0.00 0.00 179.25 180.17 2dmd s ASP 48 N -6.85 0.26 0.01 0.00 2.15 -1.26 -4.89 116.67 106.10 2dmd s ASP 48 Ca -0.06 -1.34 -0.04 0.00 0.43 0.00 0.00 52.55 51.53 2dmd s ASP 48 Cb 0.13 0.44 -0.02 0.00 -0.30 0.00 0.00 42.92 43.18 2dmd s ASP 48 CO 0.80 -0.93 1.06 0.77 -0.17 0.00 0.00 175.17 176.70 2dmd h SER 49 N 2.50 -0.17 -0.81 -0.34 4.64 -1.97 -2.79 113.55 114.60 2dmd h SER 49 Ca -0.33 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2dmd h SER 49 Cb 1.25 0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 2dmd h SER 49 CO 0.48 -0.06 -0.44 -1.54 -0.87 0.00 0.00 176.83 174.39 2dmd n SER 50 N -2.75 -0.78 -0.36 4.97 3.41 -1.26 0.66 113.62 117.52 2dmd n SER 50 Ca -0.01 1.43 0.05 0.00 -0.26 0.00 0.00 58.87 60.08 2dmd n SER 50 Cb 0.05 -0.22 0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2dmd n SER 50 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dmd h SER 51 N 0.00 -0.97 -0.27 4.04 0.87 -1.93 0.40 113.55 115.69 2dmd h SER 51 Ca 0.16 0.30 -0.07 0.00 -1.23 0.00 0.00 61.79 60.95 2dmd h SER 51 Cb 0.37 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2dmd h SER 51 CO -0.77 -0.32 -0.10 0.25 -0.53 0.00 0.00 176.83 175.35 2dmd h LEU 52 N -0.00 0.57 -1.98 2.23 5.85 0.49 -2.83 115.31 119.64 2dmd h LEU 52 Ca 0.46 -0.39 0.21 0.00 0.84 0.00 0.00 57.88 59.00 2dmd h LEU 52 Cb 0.71 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2dmd h LEU 52 CO -1.01 0.83 0.56 0.78 -0.34 0.00 0.00 178.44 179.26 2dmd h ASN 53 N 0.30 0.00 1.35 1.25 2.35 0.18 0.56 115.58 121.57 2dmd h ASN 53 Ca 0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2dmd h ASN 53 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2dmd h ASN 53 CO 0.03 0.00 -0.63 0.50 -1.65 0.00 0.00 177.43 175.69 2dmd h LYS 54 N 0.00 0.00 -0.26 0.81 3.64 -0.83 -3.26 116.57 116.67 2dmd h LYS 54 Ca 0.34 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2dmd h LYS 54 Cb 1.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2dmd h LYS 54 CO -0.00 0.63 -0.35 1.25 -2.27 0.00 0.00 179.45 178.70 2dmd h HIS 55 N 0.00 0.66 -0.08 1.91 2.76 0.24 -2.84 115.15 117.80 2dmd h HIS 55 Ca -0.01 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 57.96 2dmd h HIS 55 Cb 1.47 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.28 2dmd h HIS 55 CO 0.00 0.84 -0.06 -0.07 -1.30 0.00 0.00 177.93 177.34 2dmd h LEU 56 N 0.47 0.10 0.11 0.26 3.38 -1.51 -2.85 115.31 115.28 2dmd h LEU 56 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dmd h LEU 56 Cb 0.84 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dmd h LEU 56 CO 0.07 0.19 -0.05 0.03 0.09 0.00 0.00 178.44 178.77 2dmd h ARG 57 N 0.11 -0.15 -1.51 1.13 3.08 -1.61 -2.83 114.38 112.61 2dmd h ARG 57 Ca 0.03 0.01 0.44 0.00 0.07 0.00 0.00 59.98 60.52 2dmd h ARG 57 Cb 0.19 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 2dmd h ARG 57 CO 0.01 0.15 1.21 -0.84 -1.07 0.00 0.00 179.97 179.43 2dmd h ILE 58 N -0.44 0.10 -3.71 2.04 -0.00 -1.49 -3.40 117.51 110.61 2dmd h ILE 58 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 64.86 64.41 2dmd h ILE 58 Cb 0.36 0.12 0.17 0.00 -0.00 0.00 0.00 36.82 37.48 2dmd h ILE 58 CO 0.03 0.00 0.17 -1.00 -0.00 0.00 0.00 178.15 177.34 2dmd s HIS 59 N -4.76 1.43 -0.18 0.16 3.76 -1.07 -5.01 115.29 109.62 2dmd s HIS 59 Ca -0.04 0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 55.48 2dmd s HIS 59 Cb 0.22 -3.35 -0.21 0.00 1.11 0.00 0.00 32.58 30.35 2dmd s HIS 59 CO 0.76 -3.33 0.22 0.45 -0.85 0.00 0.00 174.74 171.98 2dmd n SER 60 N -4.44 1.97 -2.95 1.40 2.88 -1.26 -4.92 113.62 106.29 2dmd n SER 60 Ca 0.08 0.33 -0.42 0.00 -1.33 0.00 0.00 58.87 57.53 2dmd n SER 60 Cb 0.58 -0.91 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 2dmd n SER 60 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2dmd n ASP 61 N -4.05 0.64 0.16 -3.46 5.68 -1.26 -4.78 116.55 109.49 2dmd n ASP 61 Ca -0.34 0.62 0.01 0.00 -0.50 0.00 0.00 54.79 54.58 2dmd n ASP 61 Cb 0.83 -0.58 0.25 0.00 -1.14 0.00 0.00 41.12 40.48 2dmd n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2dmd h GLU 62 N 4.56 0.00 -5.70 0.11 4.81 -1.95 -3.48 114.58 112.93 2dmd h GLU 62 Ca -0.18 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.73 2dmd h GLU 62 Cb 0.91 0.00 0.16 0.00 0.63 0.00 0.00 28.75 30.45 2dmd h GLU 62 CO 0.68 0.51 -0.83 0.54 -0.73 0.00 0.00 179.01 179.18 2dmd n ARG 63 N -3.80 -4.08 0.26 1.92 1.74 -1.26 -4.89 116.66 106.56 2dmd n ARG 63 Ca -0.01 0.78 0.17 0.00 -0.77 0.00 0.00 57.85 58.02 2dmd n ARG 63 Cb 0.55 -5.58 0.69 0.00 -1.02 0.00 0.00 32.46 27.10 2dmd n ARG 63 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2dmd h PRO 64 N -1.57 0.00 -6.42 5.56 0.13 -1.86 -3.43 132.00 124.41 2dmd h PRO 64 Ca -0.61 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 63.99 2dmd h PRO 64 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2dmd h PRO 64 CO 0.48 0.00 0.17 -0.06 -0.23 0.00 0.00 178.00 178.36 2dmd s PHE 65 N -3.65 3.84 0.12 1.56 0.08 -1.26 -5.04 117.98 113.64 2dmd s PHE 65 Ca 0.01 1.56 0.04 0.00 0.12 0.00 0.00 56.93 58.66 2dmd s PHE 65 Cb 0.09 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2dmd s PHE 65 CO 0.52 0.42 -0.10 0.15 -0.10 0.00 0.00 175.22 176.11 2dmd s LYS 66 N -0.72 0.95 0.07 0.44 -0.14 -1.26 -3.07 119.74 116.01 2dmd s LYS 66 Ca 0.37 -1.31 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 2dmd s LYS 66 Cb -0.22 -0.58 -0.04 0.00 -1.68 0.00 0.00 37.83 35.31 2dmd s LYS 66 CO 0.25 0.08 0.23 0.00 -0.76 0.00 0.00 175.35 175.14 2dmd h GLN 68 N 3.07 -0.48 0.32 0.00 1.08 -1.98 -3.37 115.11 113.75 2dmd h GLN 68 Ca -0.45 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 2dmd h GLN 68 Cb 1.16 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 2dmd h GLN 68 CO 0.76 -0.20 -0.28 0.82 -0.95 0.00 0.00 178.83 178.97 2dmd h ILE 69 N -1.03 0.00 -2.95 2.54 5.03 -2.01 -3.44 117.51 115.66 2dmd h ILE 69 Ca -0.05 0.00 -0.61 0.00 -0.12 0.00 0.00 64.86 64.08 2dmd h ILE 69 Cb 0.50 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.20 2dmd h ILE 69 CO 0.08 0.00 -0.62 0.00 -0.68 0.00 0.00 178.15 176.94 2dmd n PRO 71 N 0.01 0.49 -0.91 0.00 -0.04 -1.26 -3.39 135.00 129.89 2dmd n PRO 71 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 2dmd n PRO 71 Cb 0.54 -1.29 0.07 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.79 -1.91 -3.57 0.54 9.36 -1.26 -4.60 117.16 114.92 2dmd n TYR 72 Ca 0.07 0.41 -0.17 0.00 3.32 0.00 0.00 57.90 61.53 2dmd n TYR 72 Cb 0.03 -1.45 -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 -2.08 -1.57 -0.10 2.98 0.00 -1.26 -2.67 121.76 117.06 2dmd s ALA 73 Ca 0.43 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 2dmd s ALA 73 Cb -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.12 2dmd s ALA 73 CO 0.69 -0.35 0.24 -1.54 0.00 0.00 0.00 175.76 174.80 2dmd s SER 74 N -1.14 -0.25 0.11 0.00 1.04 -1.18 -5.04 113.70 107.24 2dmd s SER 74 Ca -0.11 0.50 -0.31 0.00 0.48 0.00 0.00 55.95 56.51 2dmd s SER 74 Cb -0.01 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 66.40 2dmd s SER 74 CO 0.08 -0.15 1.60 -0.09 0.98 0.00 0.00 173.24 175.67 2dmd h ARG 75 N 6.90 -0.67 -6.97 4.02 1.12 -1.90 -3.36 114.38 113.52 2dmd h ARG 75 Ca -0.38 0.05 -0.46 0.00 -1.11 0.00 0.00 59.98 58.08 2dmd h ARG 75 Cb 1.16 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.26 2dmd h ARG 75 CO 0.38 -0.45 0.35 1.21 -3.11 0.00 0.00 179.97 178.35 2dmd s ASN 76 N -4.65 7.11 0.02 -3.80 3.04 -1.26 -4.77 114.94 110.63 2dmd s ASN 76 Ca -0.17 1.79 -0.24 0.00 0.04 0.00 0.00 52.86 54.29 2dmd s ASN 76 Cb 0.07 -2.56 -0.13 0.00 -1.54 0.00 0.00 41.25 37.08 2dmd s ASN 76 CO 0.63 -0.24 1.17 -1.28 -3.04 0.00 0.00 177.10 174.35 2dmd h SER 77 N 2.55 -0.72 -0.70 -4.21 0.87 -2.02 -3.22 113.55 106.11 2dmd h SER 77 Ca -0.48 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2dmd h SER 77 Cb 1.19 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 63.23 2dmd h SER 77 CO 0.63 -0.45 -0.30 -1.20 -0.53 0.00 0.00 176.83 174.99 2dmd n SER 78 N -4.66 -0.50 -0.37 6.23 7.64 -1.26 0.47 113.62 121.18 2dmd n SER 78 Ca -0.11 1.22 -0.04 0.00 1.01 0.00 0.00 58.87 60.95 2dmd n SER 78 Cb 0.33 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2dmd n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmd n GLN 79 N -5.00 -0.28 -0.24 1.43 1.13 -1.22 0.64 117.38 113.84 2dmd n GLN 79 Ca 0.06 1.42 -0.06 0.00 -1.94 0.00 0.00 57.00 56.48 2dmd n GLN 79 Cb 0.26 -2.10 0.05 0.00 0.11 0.00 0.00 30.24 28.56 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2dmd h LEU 80 N 0.00 0.82 -0.42 1.08 5.85 -0.06 0.12 115.31 122.70 2dmd h LEU 80 Ca 0.26 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2dmd h LEU 80 Cb 0.49 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2dmd h LEU 80 CO -0.90 0.65 -0.07 0.74 -0.34 0.00 0.00 178.44 178.52 2dmd h THR 81 N 0.92 0.61 -0.04 1.05 2.02 0.87 -1.52 112.91 116.82 2dmd h THR 81 Ca 0.24 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 2dmd h THR 81 Cb -0.01 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2dmd h THR 81 CO -0.04 0.01 -0.14 0.58 0.37 0.00 0.00 175.52 176.29 2dmd h VAL 82 N 0.03 1.46 -0.95 3.16 2.07 -0.81 -3.24 116.25 117.96 2dmd h VAL 82 Ca 0.20 -1.57 0.29 0.00 0.82 0.00 0.00 66.70 66.44 2dmd h VAL 82 Cb 0.31 2.39 -0.15 0.00 -1.52 0.00 0.00 31.29 32.32 2dmd h VAL 82 CO -0.41 0.43 0.37 -0.74 0.02 0.00 0.00 177.57 177.25 2dmd h HIS 83 N -0.39 0.57 -0.25 1.57 6.17 -0.45 0.84 115.15 123.21 2dmd h HIS 83 Ca -0.01 0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.18 2dmd h HIS 83 Cb 0.77 -0.10 -0.07 0.00 2.52 0.00 0.00 27.41 30.53 2dmd h HIS 83 CO 0.14 -0.26 -0.31 -0.07 0.71 0.00 0.00 177.93 178.14 2dmd h LEU 84 N 0.20 -0.99 -0.79 0.26 3.38 -1.31 -1.18 115.31 114.89 2dmd h LEU 84 Ca 0.66 0.16 0.25 0.00 0.09 0.00 0.00 57.88 59.05 2dmd h LEU 84 Cb 1.48 0.44 -0.14 0.00 0.09 0.00 0.00 40.66 42.53 2dmd h LEU 84 CO -0.69 -0.33 0.14 0.54 0.09 0.00 0.00 178.44 178.20 2dmd n ARG 85 N -5.41 -0.06 -0.28 1.13 1.74 0.29 0.12 116.66 114.20 2dmd n ARG 85 Ca -0.01 1.15 0.06 0.00 -0.77 0.00 0.00 57.85 58.28 2dmd n ARG 85 Cb 0.32 -1.90 0.17 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.44 -0.41 0.55 0.87 -1.28 -3.28 113.55 109.56 2dmd h SER 86 Ca 0.54 0.22 -0.16 0.00 -1.23 0.00 0.00 61.79 61.15 2dmd h SER 86 Cb 1.23 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 2dmd h SER 86 CO -0.70 -0.22 0.46 -1.00 -0.53 0.00 0.00 176.83 174.85 2dmd s HIS 87 N -6.12 1.52 -0.09 2.24 3.76 0.33 -4.85 115.29 112.08 2dmd s HIS 87 Ca -0.14 1.37 -0.06 0.00 -0.15 0.00 0.00 55.06 56.09 2dmd s HIS 87 Cb 0.23 -3.69 0.03 0.00 1.11 0.00 0.00 32.58 30.26 2dmd s HIS 87 CO 0.76 -1.28 0.21 -0.08 -0.85 0.00 0.00 174.74 173.50 2dmd s THR 88 N 13.34 -0.02 0.00 1.30 -1.32 -1.24 -5.06 115.64 122.63 2dmd s THR 88 Ca 0.78 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.33 2dmd s THR 88 Cb -0.06 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 2dmd s THR 88 CO 0.10 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 2dmd n GLY 89 N 3.55 -0.84 2.93 6.08 0.00 -1.26 -5.15 105.19 110.50 2dmd n GLY 89 Ca -0.19 0.78 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 3.13 -0.09 1.61 1.01 -1.26 -5.10 116.67 115.96 2dmd s ASP 90 Ca 0.00 -0.79 -0.30 0.00 0.71 0.00 0.00 52.55 52.17 2dmd s ASP 90 Cb 0.00 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 2dmd s ASP 90 CO 0.00 -0.18 1.40 -0.44 0.21 0.00 0.00 175.17 176.16 2dmd s SER 91 N 1.53 6.86 0.00 0.27 0.01 -1.26 -4.72 113.70 116.39 2dmd s SER 91 Ca -0.01 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2dmd s SER 91 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2dmd s SER 91 CO -0.08 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2dmd n GLY 92 N 3.74 1.57 0.02 3.44 0.00 -1.26 -4.87 105.19 107.83 2dmd n GLY 92 Ca 0.14 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 2.91 0.03 -1.59 1.61 -0.04 -1.26 -4.78 135.00 131.87 2dmd n PRO 93 Ca 0.00 0.29 -0.31 0.00 -0.04 0.00 0.00 63.50 63.44 2dmd n PRO 93 Cb 0.00 -1.56 0.06 0.00 -0.04 0.00 0.00 33.50 31.96 2dmd n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmd s SER 94 N -3.21 5.15 -0.07 3.54 1.04 -1.26 -5.02 113.70 113.87 2dmd s SER 94 Ca 0.06 1.49 -0.02 0.00 0.48 0.00 0.00 55.95 57.97 2dmd s SER 94 Cb 0.09 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2dmd s SER 94 CO 0.28 -1.57 -0.08 -1.20 0.98 0.00 0.00 173.24 171.64 2dmd n SER 95 N -3.20 2.00 0.00 7.02 7.64 -1.26 -5.07 113.62 120.75 2dmd n SER 95 Ca 0.07 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2dmd n SER 95 Cb 0.55 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2dmd n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64