#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 0.68 -0.22 1.61 0.01 -1.26 -5.06 113.70 109.47 2dmd s SER 2 Ca 0.00 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 2dmd s SER 2 Cb 0.00 0.01 -0.19 0.00 0.21 0.00 0.00 66.02 66.05 2dmd s SER 2 CO 0.00 -0.12 -0.02 -1.54 0.41 0.00 0.00 173.24 171.96 2dmd n SER 3 N 1.99 2.01 0.00 2.44 3.41 -1.26 -5.12 113.62 117.09 2dmd n SER 3 Ca -0.19 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2dmd n SER 3 Cb 0.56 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2dmd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmd n GLY 4 N 1.90 1.88 3.65 5.00 0.00 -1.26 -5.13 105.19 111.24 2dmd n GLY 4 Ca -0.42 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.47 2dmd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmd s SER 5 N 0.00 -0.34 0.17 1.61 0.01 -1.26 -5.19 113.70 108.70 2dmd s SER 5 Ca 0.00 -0.43 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2dmd s SER 5 Cb 0.00 0.65 0.02 0.00 0.21 0.00 0.00 66.02 66.90 2dmd s SER 5 CO 0.00 -1.17 0.42 -0.44 0.41 0.00 0.00 173.24 172.46 2dmd s SER 6 N -2.87 -0.15 -0.24 2.44 0.01 -1.26 -5.15 113.70 106.48 2dmd s SER 6 Ca 0.08 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 2dmd s SER 6 Cb -0.03 0.51 0.07 0.00 0.21 0.00 0.00 66.02 66.78 2dmd s SER 6 CO -0.01 -0.95 0.05 -0.83 0.41 0.00 0.00 173.24 171.91 2dmd s GLY 7 N -2.88 0.88 0.69 3.44 0.00 -1.26 -5.13 107.32 103.05 2dmd s GLY 7 Ca 0.10 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.59 2dmd s GLY 7 CO -0.04 1.45 1.11 2.56 0.00 0.00 0.00 173.10 178.17 2dmd s PRO 8 N 1.74 2.68 -0.34 2.90 0.04 -1.26 -5.01 135.00 135.75 2dmd s PRO 8 Ca 0.02 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 2dmd s PRO 8 Cb -0.17 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2dmd s PRO 8 CO -0.14 -1.34 0.47 -1.01 0.04 0.00 0.00 177.00 175.02 2dmd s HIS 9 N -2.48 3.19 -0.10 0.56 3.76 -1.26 -5.06 115.29 113.90 2dmd s HIS 9 Ca 0.66 0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.71 2dmd s HIS 9 Cb -0.20 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 2dmd s HIS 9 CO 0.45 -0.49 -0.04 0.21 -0.85 0.00 0.00 174.74 174.02 2dmd s LYS 10 N 2.28 3.14 1.12 1.40 2.20 -1.26 -3.96 119.74 124.66 2dmd s LYS 10 Ca 0.17 -0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 55.12 2dmd s LYS 10 Cb -0.16 -2.76 0.22 0.00 -1.51 0.00 0.00 37.83 33.62 2dmd s LYS 10 CO 0.13 0.52 0.44 0.00 -0.36 0.00 0.00 175.35 176.08 2dmd n GLU 12 N -2.72 0.83 -0.16 0.00 0.28 -1.26 -4.32 120.64 113.29 2dmd n GLU 12 Ca 0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.96 2dmd n GLU 12 Cb 0.42 -0.66 0.01 0.00 1.43 0.00 0.00 31.44 32.64 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 1.27 0.00 3.84 -1.51 -2.01 -3.39 116.25 114.46 2dmd h VAL 13 Ca 0.00 -1.37 -0.07 0.00 -1.23 0.00 0.00 66.70 64.03 2dmd h VAL 13 Cb 0.31 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2dmd h VAL 13 CO 0.00 0.47 -1.25 0.00 -1.23 0.00 0.00 177.57 175.56 2dmd n GLY 15 N 3.07 0.73 3.94 0.00 0.00 -1.26 -5.08 105.19 106.60 2dmd n GLY 15 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 0.54 3.47 0.02 1.61 -0.14 -1.26 -4.83 119.74 119.15 2dmd s LYS 16 Ca 0.00 -0.38 0.04 0.00 -1.36 0.00 0.00 55.97 54.27 2dmd s LYS 16 Cb 0.00 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 2dmd s LYS 16 CO 0.00 0.16 -0.08 0.00 -0.76 0.00 0.00 175.35 174.67 2dmd s PHE 18 N -1.03 -0.20 0.25 0.00 0.08 -1.25 -5.03 117.98 110.80 2dmd s PHE 18 Ca 0.18 0.45 -0.02 0.00 0.12 0.00 0.00 56.93 57.66 2dmd s PHE 18 Cb -0.11 0.06 0.31 0.00 -0.57 0.00 0.00 43.02 42.71 2dmd s PHE 18 CO 0.08 -0.18 1.72 0.66 -0.10 0.00 0.00 175.22 177.41 2dmd h SER 19 N 5.34 0.72 -3.52 1.36 4.64 -2.00 -3.39 113.55 116.69 2dmd h SER 19 Ca -0.27 -0.21 -0.52 0.00 -0.47 0.00 0.00 61.79 60.33 2dmd h SER 19 Cb 1.19 -0.19 -0.18 0.00 -0.31 0.00 0.00 62.40 62.91 2dmd h SER 19 CO 0.37 0.85 -0.78 -0.13 -0.87 0.00 0.00 176.83 176.28 2dmd s ARG 20 N -4.81 1.28 0.43 4.77 0.52 -1.26 -4.87 118.95 115.02 2dmd s ARG 20 Ca -0.09 -1.42 0.24 0.00 -0.52 0.00 0.00 55.73 53.94 2dmd s ARG 20 Cb 0.14 -1.32 0.44 0.00 0.52 0.00 0.00 34.95 34.73 2dmd s ARG 20 CO 0.81 0.26 1.65 1.57 0.02 0.00 0.00 175.30 179.61 2dmd h LYS 21 N 3.20 0.00 0.11 3.54 2.10 -1.90 -3.31 116.57 120.32 2dmd h LYS 21 Ca -0.42 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 2dmd h LYS 21 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2dmd h LYS 21 CO 0.52 0.00 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.47 2dmd h ASP 22 N 0.00 -0.13 -0.96 7.07 3.32 -1.99 -2.63 116.42 121.10 2dmd h ASP 22 Ca 0.00 -0.01 0.25 0.00 0.02 0.00 0.00 57.03 57.29 2dmd h ASP 22 Cb 0.95 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 2dmd h ASP 22 CO 0.00 -0.08 0.49 0.11 -1.72 0.00 0.00 179.24 178.05 2dmd h LYS 23 N -0.17 0.42 -0.88 3.56 1.57 -2.01 0.48 116.57 119.55 2dmd h LYS 23 Ca -0.02 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 2dmd h LYS 23 Cb 0.13 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2dmd h LYS 23 CO 0.03 0.28 0.58 1.25 -0.57 0.00 0.00 179.45 181.02 2dmd h LEU 24 N 0.44 0.42 -0.98 2.94 5.85 -1.64 -0.50 115.31 121.83 2dmd h LEU 24 Ca 0.63 0.04 0.30 0.00 0.84 0.00 0.00 57.88 59.69 2dmd h LEU 24 Cb 1.26 -0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 2dmd h LEU 24 CO -0.53 0.18 0.52 0.07 -0.34 0.00 0.00 178.44 178.33 2dmd h LYS 25 N 0.42 0.31 0.04 1.25 2.10 -0.07 -0.33 116.57 120.29 2dmd h LYS 25 Ca 0.46 -0.02 -0.34 0.00 -2.00 0.00 0.00 60.65 58.75 2dmd h LYS 25 Cb 1.11 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.32 2dmd h LYS 25 CO -0.17 0.21 -1.99 2.41 -2.00 0.00 0.00 179.45 177.91 2dmd n THR 26 N -5.07 1.63 -0.50 0.07 -1.04 -0.28 -4.15 114.28 104.94 2dmd n THR 26 Ca 0.30 -0.73 0.42 0.00 -2.04 0.00 0.00 64.05 62.00 2dmd n THR 26 Cb 0.93 -1.24 0.75 0.00 -1.82 0.00 0.00 70.33 68.95 2dmd n THR 26 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2dmd h HIS 27 N 0.03 0.12 -0.65 -1.42 6.17 -0.22 1.05 115.15 120.22 2dmd h HIS 27 Ca -0.40 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 60.61 2dmd h HIS 27 Cb 2.04 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 31.91 2dmd h HIS 27 CO 0.03 -0.03 0.13 0.52 0.71 0.00 0.00 177.93 179.29 2dmd h MET 28 N 0.03 1.04 -0.85 5.26 2.86 -1.63 -3.09 114.93 118.55 2dmd h MET 28 Ca 0.76 -0.25 0.15 0.00 -2.06 0.00 0.00 59.70 58.30 2dmd h MET 28 Cb 2.89 -0.13 -0.15 0.00 0.06 0.00 0.00 31.60 34.27 2dmd h MET 28 CO -0.09 0.94 -0.31 0.00 1.06 0.00 0.00 176.91 178.51 2dmd h ARG 29 N 0.98 -0.04 -0.07 1.72 3.08 0.92 -0.28 114.38 120.70 2dmd h ARG 29 Ca 0.20 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2dmd h ARG 29 Cb 0.39 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 2dmd h ARG 29 CO 0.01 -0.03 -0.43 0.00 -1.07 0.00 0.00 179.97 178.45 2dmd n HIS 31 N -5.44 -0.41 -4.24 0.00 8.25 -0.12 -5.01 115.22 108.25 2dmd n HIS 31 Ca -0.05 0.43 -0.20 0.00 -0.26 0.00 0.00 57.72 57.64 2dmd n HIS 31 Cb 0.37 -1.98 -0.12 0.00 1.12 0.00 0.00 29.99 29.38 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 -1.69 1.42 0.00 1.59 -1.32 -1.26 -4.99 115.64 109.38 2dmd s THR 32 Ca 0.70 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 2dmd s THR 32 Cb -0.43 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 2dmd s THR 32 CO 0.53 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2dmd n GLY 33 N 0.90 0.65 2.97 6.08 0.00 -1.26 -4.99 105.19 109.55 2dmd n GLY 33 Ca -0.18 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.13 -1.85 1.61 0.24 -1.26 -4.78 118.33 112.16 2dmd n VAL 34 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2dmd n VAL 34 Cb 0.00 -0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 31.94 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 -5.53 3.61 0.19 7.34 3.01 -1.26 -4.88 119.74 122.21 2dmd s LYS 35 Ca 0.20 1.95 -0.05 0.00 -1.01 0.00 0.00 55.97 57.06 2dmd s LYS 35 Cb -0.11 -4.19 0.10 0.00 -1.01 0.00 0.00 37.83 32.62 2dmd s LYS 35 CO 0.25 -1.54 1.54 -1.00 0.51 0.00 0.00 175.35 175.10 2dmd h PRO 36 N 12.32 0.72 -5.97 -1.68 0.13 -1.87 -3.39 132.00 132.25 2dmd h PRO 36 Ca -0.39 -0.38 -0.56 0.00 -0.87 0.00 0.00 66.00 63.80 2dmd h PRO 36 Cb 1.20 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 2dmd h PRO 36 CO 0.98 0.99 1.50 0.71 -0.23 0.00 0.00 178.00 181.95 2dmd s TYR 37 N -4.28 2.44 -0.16 1.56 2.02 -1.26 -4.92 117.35 112.76 2dmd s TYR 37 Ca -0.09 -0.71 -0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2dmd s TYR 37 Cb 0.12 -4.58 0.04 0.00 -0.40 0.00 0.00 41.96 37.13 2dmd s TYR 37 CO 0.85 -1.85 -0.06 0.15 -1.57 0.00 0.00 175.55 173.07 2dmd s LYS 38 N 5.21 1.46 0.99 -0.62 1.02 -1.26 -1.96 119.74 124.57 2dmd s LYS 38 Ca 0.52 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.90 2dmd s LYS 38 Cb -0.00 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2dmd s LYS 38 CO -0.04 -0.40 0.12 0.00 -0.92 0.00 0.00 175.35 174.11 2dmd n LYS 40 N -1.07 0.00 -0.34 0.00 5.02 -1.26 -4.38 118.16 116.14 2dmd n LYS 40 Ca 0.04 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.73 2dmd n LYS 40 Cb 0.56 -0.87 0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2dmd n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dmd h THR 41 N 0.00 1.06 -2.40 -0.18 1.03 -2.03 -3.43 112.91 106.96 2dmd h THR 41 Ca 0.00 -0.36 -0.47 0.00 -0.01 0.00 0.00 66.41 65.57 2dmd h THR 41 Cb 0.00 -0.10 0.11 0.00 -1.07 0.00 0.00 68.15 67.09 2dmd h THR 41 CO 0.00 0.19 0.19 0.00 -0.01 0.00 0.00 175.52 175.90 2dmd n ASP 43 N -3.13 1.33 -4.65 0.00 2.03 -1.26 -4.51 116.55 106.35 2dmd n ASP 43 Ca 0.17 -1.46 -0.44 0.00 0.52 0.00 0.00 54.79 53.58 2dmd n ASP 43 Cb 0.60 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2dmd n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmd n TYR 44 N -0.23 1.81 -4.37 -0.67 9.36 -1.26 -4.87 117.16 116.93 2dmd n TYR 44 Ca 0.00 0.61 -0.32 0.00 3.32 0.00 0.00 57.90 61.51 2dmd n TYR 44 Cb 0.16 -2.34 -0.16 0.00 -0.63 0.00 0.00 39.34 36.37 2dmd n TYR 44 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmd s ALA 45 N -0.97 2.24 0.12 2.98 0.00 -1.26 -3.52 121.76 121.34 2dmd s ALA 45 Ca 0.58 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 51.50 2dmd s ALA 45 Cb -0.64 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2dmd s ALA 45 CO 0.60 -0.20 -0.15 0.00 0.00 0.00 0.00 175.76 176.00 2dmd s ALA 46 N 1.08 2.77 -0.46 0.00 0.00 -0.83 -5.03 121.76 119.30 2dmd s ALA 46 Ca -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2dmd s ALA 46 Cb -0.14 -0.73 0.56 0.00 0.00 0.00 0.00 23.12 22.81 2dmd s ALA 46 CO -0.08 0.61 1.80 0.00 0.00 0.00 0.00 175.76 178.09 2dmd n ALA 47 N 0.74 5.49 -3.62 0.00 0.00 -1.26 -4.04 120.51 117.82 2dmd n ALA 47 Ca -0.15 -3.18 -0.07 0.00 0.00 0.00 0.00 53.44 50.05 2dmd n ALA 47 Cb 0.53 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.88 -0.24 0.20 0.00 1.01 -1.26 -4.99 116.67 109.51 2dmd s ASP 48 Ca 0.56 0.32 -0.11 0.00 0.71 0.00 0.00 52.55 54.04 2dmd s ASP 48 Cb 0.47 0.28 0.21 0.00 1.01 0.00 0.00 42.92 44.89 2dmd s ASP 48 CO 0.05 -0.18 1.79 -1.28 0.21 0.00 0.00 175.17 175.76 2dmd h SER 49 N 2.73 0.42 -0.30 0.27 0.87 -1.99 -2.09 113.55 113.46 2dmd h SER 49 Ca -0.18 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 2dmd h SER 49 Cb 1.18 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2dmd h SER 49 CO 0.23 0.27 -0.35 0.77 -0.53 0.00 0.00 176.83 177.23 2dmd h SER 50 N 0.56 0.88 -0.66 6.23 4.64 -1.99 -2.65 113.55 120.56 2dmd h SER 50 Ca 0.28 -0.39 0.19 0.00 -0.47 0.00 0.00 61.79 61.40 2dmd h SER 50 Cb 0.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2dmd h SER 50 CO -0.20 1.15 0.54 0.28 -0.87 0.00 0.00 176.83 177.73 2dmd h SER 51 N 0.69 0.00 0.12 4.97 0.02 -1.77 -0.74 113.55 116.85 2dmd h SER 51 Ca 0.07 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.69 2dmd h SER 51 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2dmd h SER 51 CO 0.08 0.00 -1.70 0.25 -1.14 0.00 0.00 176.83 174.33 2dmd h LEU 52 N 0.00 0.40 -1.87 5.07 5.85 -1.29 -3.34 115.31 120.13 2dmd h LEU 52 Ca 0.32 -0.88 0.13 0.00 0.84 0.00 0.00 57.88 58.29 2dmd h LEU 52 Cb 1.40 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2dmd h LEU 52 CO -0.00 1.74 0.53 0.78 -0.34 0.00 0.00 178.44 181.14 2dmd h ASN 53 N -0.15 0.00 1.26 1.25 2.35 -0.80 0.76 115.58 120.25 2dmd h ASN 53 Ca -0.36 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.25 2dmd h ASN 53 Cb 1.89 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.24 2dmd h ASN 53 CO 0.07 0.00 -0.65 0.50 -1.65 0.00 0.00 177.43 175.70 2dmd h LYS 54 N 0.00 0.00 0.00 0.81 3.64 -1.56 -3.22 116.57 116.24 2dmd h LYS 54 Ca 0.22 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2dmd h LYS 54 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2dmd h LYS 54 CO -0.00 0.65 -0.66 1.25 -2.27 0.00 0.00 179.45 178.42 2dmd h HIS 55 N 0.00 0.00 0.00 1.91 2.76 0.40 -3.03 115.15 117.18 2dmd h HIS 55 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2dmd h HIS 55 Cb 1.46 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.42 2dmd h HIS 55 CO 0.00 0.66 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.19 2dmd h LEU 56 N 0.00 0.00 -0.77 0.26 3.38 -1.46 -2.54 115.31 114.18 2dmd h LEU 56 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dmd h LEU 56 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2dmd h LEU 56 CO 0.09 0.03 -0.21 0.03 0.09 0.00 0.00 178.44 178.46 2dmd h ARG 57 N 0.00 0.00 0.00 1.13 3.08 -1.61 -3.02 114.38 113.96 2dmd h ARG 57 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2dmd h ARG 57 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2dmd h ARG 57 CO 0.00 0.21 -0.62 -0.84 -1.07 0.00 0.00 179.97 177.65 2dmd h ILE 58 N 0.00 1.26 -0.01 2.04 -0.00 -1.57 -3.12 117.51 116.11 2dmd h ILE 58 Ca -0.00 -2.27 -0.01 0.00 -0.00 0.00 0.00 64.86 62.58 2dmd h ILE 58 Cb 0.88 2.29 -0.00 0.00 -0.00 0.00 0.00 36.82 39.99 2dmd h ILE 58 CO 0.03 0.61 -0.03 0.45 -0.00 0.00 0.00 178.15 179.21 2dmd h HIS 59 N 0.00 0.01 -0.68 0.16 3.86 -1.61 -2.69 115.15 114.21 2dmd h HIS 59 Ca -0.01 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.83 2dmd h HIS 59 Cb 1.24 -0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 2dmd h HIS 59 CO 0.00 0.04 0.25 0.43 0.86 0.00 0.00 177.93 179.51 2dmd n SER 60 N -4.50 6.22 -3.17 2.45 7.64 -1.18 -4.69 113.62 116.40 2dmd n SER 60 Ca -0.03 -3.01 0.05 0.00 1.01 0.00 0.00 58.87 56.89 2dmd n SER 60 Cb 0.12 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.09 2dmd n SER 60 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dmd s ASP 61 N 0.65 -0.47 0.45 6.43 1.01 -1.01 -5.10 116.67 118.62 2dmd s ASP 61 Ca 0.50 0.33 0.07 0.00 0.71 0.00 0.00 52.55 54.16 2dmd s ASP 61 Cb 0.32 1.41 -0.01 0.00 1.01 0.00 0.00 42.92 45.65 2dmd s ASP 61 CO -0.12 -0.09 0.37 -1.61 0.21 0.00 0.00 175.17 173.94 2dmd s GLU 62 N 2.89 2.42 -0.06 8.23 2.02 -1.26 -4.99 118.70 127.95 2dmd s GLU 62 Ca -0.01 -1.68 0.02 0.00 0.02 0.00 0.00 54.97 53.32 2dmd s GLU 62 Cb -0.10 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.87 2dmd s GLU 62 CO -0.12 -0.30 -0.10 1.03 0.02 0.00 0.00 175.26 175.80 2dmd s ARG 63 N -4.15 1.45 0.13 1.61 0.52 -1.26 -4.96 118.95 112.28 2dmd s ARG 63 Ca 0.45 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 2dmd s ARG 63 Cb -0.02 -1.26 -0.06 0.00 0.52 0.00 0.00 34.95 34.13 2dmd s ARG 63 CO 0.26 -0.02 1.46 -1.00 0.02 0.00 0.00 175.30 176.02 2dmd h PRO 64 N 7.09 0.86 -6.86 3.54 0.13 -1.88 -3.44 132.00 131.43 2dmd h PRO 64 Ca -0.33 -0.46 -0.47 0.00 -0.87 0.00 0.00 66.00 63.88 2dmd h PRO 64 Cb 1.18 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2dmd h PRO 64 CO 0.47 1.10 0.35 -0.06 -0.23 0.00 0.00 178.00 179.63 2dmd s PHE 65 N -4.38 3.74 0.01 1.56 0.08 -1.23 -5.04 117.98 112.71 2dmd s PHE 65 Ca -0.11 1.81 -0.13 0.00 0.12 0.00 0.00 56.93 58.61 2dmd s PHE 65 Cb 0.10 -2.93 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 2dmd s PHE 65 CO 0.86 0.25 0.27 0.15 -0.10 0.00 0.00 175.22 176.65 2dmd s LYS 66 N -1.91 0.67 0.08 0.44 1.02 -1.26 -3.19 119.74 115.60 2dmd s LYS 66 Ca 0.49 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2dmd s LYS 66 Cb -0.20 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2dmd s LYS 66 CO 0.25 -0.19 0.24 0.00 -0.92 0.00 0.00 175.35 174.73 2dmd h GLN 68 N 2.88 0.00 -0.80 0.00 7.50 -1.98 -3.38 115.11 119.33 2dmd h GLN 68 Ca -0.46 0.00 0.19 0.00 0.50 0.00 0.00 58.65 58.88 2dmd h GLN 68 Cb 1.17 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 28.57 2dmd h GLN 68 CO 0.74 0.00 0.19 0.82 -1.50 0.00 0.00 178.83 179.08 2dmd h ILE 69 N -0.76 0.43 -3.61 2.54 2.04 -2.01 -3.41 117.51 112.72 2dmd h ILE 69 Ca 0.00 -0.08 -0.52 0.00 1.00 0.00 0.00 64.86 65.26 2dmd h ILE 69 Cb 0.09 0.16 -0.20 0.00 -0.74 0.00 0.00 36.82 36.14 2dmd h ILE 69 CO 0.00 0.04 -0.80 0.00 0.00 0.00 0.00 178.15 177.40 2dmd n PRO 71 N 0.68 0.49 -0.91 0.00 -0.04 -1.26 -3.76 135.00 130.20 2dmd n PRO 71 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 2dmd n PRO 71 Cb 0.55 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.76 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 -3.13 -3.63 0.54 9.36 -1.26 -4.70 117.16 113.50 2dmd n TYR 72 Ca 0.08 0.18 -0.15 0.00 3.32 0.00 0.00 57.90 61.32 2dmd n TYR 72 Cb 0.04 -1.52 -0.07 0.00 -0.63 0.00 0.00 39.34 37.15 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 -2.13 -1.40 0.14 2.98 0.00 -1.26 -2.66 121.76 117.43 2dmd s ALA 73 Ca 0.45 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.58 2dmd s ALA 73 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2dmd s ALA 73 CO 0.74 -0.31 0.00 0.45 0.00 0.00 0.00 175.76 176.65 2dmd s SER 74 N -0.75 0.90 -0.10 0.00 0.15 -1.19 -5.03 113.70 107.68 2dmd s SER 74 Ca -0.08 -1.15 0.04 0.00 0.70 0.00 0.00 55.95 55.46 2dmd s SER 74 Cb -0.03 0.17 -0.24 0.00 -1.71 0.00 0.00 66.02 64.21 2dmd s SER 74 CO 0.06 -0.60 0.44 -1.14 1.20 0.00 0.00 173.24 173.20 2dmd n ARG 75 N -0.15 0.69 -2.79 5.44 0.63 -1.26 -3.56 116.66 115.67 2dmd n ARG 75 Ca -0.08 0.25 -0.16 0.00 -0.92 0.00 0.00 57.85 56.95 2dmd n ARG 75 Cb 0.63 -1.72 0.01 0.00 0.45 0.00 0.00 32.46 31.83 2dmd n ARG 75 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2dmd n ASN 76 N -3.23 1.91 -0.06 6.15 0.23 -1.26 -4.83 115.26 114.17 2dmd n ASN 76 Ca -0.26 -2.15 -0.03 0.00 -0.53 0.00 0.00 54.58 51.61 2dmd n ASN 76 Cb 1.05 -0.09 -0.01 0.00 -2.08 0.00 0.00 39.78 38.65 2dmd n ASN 76 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2dmd h SER 77 N 0.32 0.00 -0.20 0.53 0.87 -2.00 -3.36 113.55 109.71 2dmd h SER 77 Ca -0.21 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2dmd h SER 77 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2dmd h SER 77 CO 0.32 0.67 -0.12 -0.24 -0.53 0.00 0.00 176.83 176.93 2dmd n SER 78 N -4.62 -0.21 -0.29 6.23 2.88 -1.26 0.11 113.62 116.45 2dmd n SER 78 Ca -0.05 1.02 0.28 0.00 -1.33 0.00 0.00 58.87 58.78 2dmd n SER 78 Cb 0.19 -0.37 0.51 0.00 -0.75 0.00 0.00 64.21 63.78 2dmd n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmd n GLN 79 N -3.38 -0.06 -0.01 -1.46 6.02 -1.26 0.18 117.38 117.41 2dmd n GLN 79 Ca 0.00 1.27 -0.18 0.00 -0.01 0.00 0.00 57.00 58.08 2dmd n GLN 79 Cb 0.05 -2.25 -0.08 0.00 1.02 0.00 0.00 30.24 28.98 2dmd n GLN 79 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2dmd h LEU 80 N 0.00 0.83 -0.22 1.08 5.85 0.59 -2.48 115.31 120.95 2dmd h LEU 80 Ca 0.75 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2dmd h LEU 80 Cb 1.96 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 2dmd h LEU 80 CO -0.72 1.37 0.09 0.74 -0.34 0.00 0.00 178.44 179.58 2dmd h THR 81 N 0.36 1.17 -0.80 1.05 2.02 0.51 -0.39 112.91 116.83 2dmd h THR 81 Ca -0.07 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2dmd h THR 81 Cb 1.40 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 2dmd h THR 81 CO 0.15 0.17 0.35 1.62 0.37 0.00 0.00 175.52 178.18 2dmd h VAL 82 N 0.20 1.26 -0.41 3.16 3.04 -0.58 -2.19 116.25 120.73 2dmd h VAL 82 Ca 0.07 -0.77 -0.07 0.00 -1.01 0.00 0.00 66.70 64.92 2dmd h VAL 82 Cb 0.18 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 2dmd h VAL 82 CO -0.01 0.32 -0.02 -0.74 -1.01 0.00 0.00 177.57 176.12 2dmd h HIS 83 N 1.16 0.81 0.51 3.17 -0.00 -1.26 -2.40 115.15 117.14 2dmd h HIS 83 Ca 0.27 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2dmd h HIS 83 Cb 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2dmd h HIS 83 CO 0.02 0.82 -0.33 -0.07 -0.00 0.00 0.00 177.93 178.37 2dmd h LEU 84 N 0.57 -0.84 0.00 0.26 3.38 -0.82 -1.03 115.31 116.83 2dmd h LEU 84 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dmd h LEU 84 Cb 0.51 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dmd h LEU 84 CO 0.03 -0.51 0.00 -2.11 0.09 0.00 0.00 178.44 175.93 2dmd n ARG 85 N -5.46 0.03 0.05 1.13 -4.01 -0.84 -1.44 116.66 106.11 2dmd n ARG 85 Ca -0.12 0.35 -0.07 0.00 -1.04 0.00 0.00 57.85 56.97 2dmd n ARG 85 Cb 0.36 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 28.16 2dmd n ARG 85 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2dmd h SER 86 N 0.00 0.00 0.65 2.89 0.87 -0.65 -3.36 113.55 113.95 2dmd h SER 86 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2dmd h SER 86 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2dmd h SER 86 CO 0.00 1.00 -0.46 0.45 -0.53 0.00 0.00 176.83 177.29 2dmd h HIS 87 N 0.00 -1.23 -0.99 2.24 3.86 -1.05 -1.67 115.15 116.30 2dmd h HIS 87 Ca -0.03 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.46 2dmd h HIS 87 Cb 1.79 0.45 -0.04 0.00 1.06 0.00 0.00 27.41 30.67 2dmd h HIS 87 CO 0.00 -0.66 1.21 1.79 0.86 0.00 0.00 177.93 181.13 2dmd h THR 88 N -1.06 0.00 -3.35 2.45 1.35 -1.71 -3.31 112.91 107.28 2dmd h THR 88 Ca -0.08 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.11 2dmd h THR 88 Cb 0.87 0.01 -0.30 0.00 -1.73 0.00 0.00 68.15 67.00 2dmd h THR 88 CO 0.04 0.00 -0.76 -0.83 -0.25 0.00 0.00 175.52 173.72 2dmd s GLY 89 N -3.43 1.57 -0.47 5.82 0.00 -0.63 -5.07 107.32 105.11 2dmd s GLY 89 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2dmd s GLY 89 CO 0.45 0.42 0.23 0.99 0.00 0.00 0.00 173.10 175.19 2dmd s ASP 90 N 1.40 4.78 -0.12 1.64 1.01 -1.25 -4.89 116.67 119.23 2dmd s ASP 90 Ca 0.04 -2.59 -0.07 0.00 0.71 0.00 0.00 52.55 50.65 2dmd s ASP 90 Cb -0.15 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.02 2dmd s ASP 90 CO -0.06 -0.35 -0.17 -0.24 0.21 0.00 0.00 175.17 174.56 2dmd n SER 91 N 3.74 0.97 -3.70 0.27 2.88 -1.26 -4.88 113.62 111.64 2dmd n SER 91 Ca 0.04 0.17 -0.27 0.00 -1.33 0.00 0.00 58.87 57.47 2dmd n SER 91 Cb 0.37 -0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.33 2dmd n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmd n GLY 92 N 2.21 3.85 0.15 0.46 0.00 -1.26 -4.90 105.19 105.69 2dmd n GLY 92 Ca -0.24 -2.39 0.12 0.00 0.00 0.00 0.00 46.02 43.51 2dmd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmd h PRO 93 N 5.11 0.00 -6.09 1.61 0.13 -1.97 -3.45 132.00 127.34 2dmd h PRO 93 Ca 0.17 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.55 2dmd h PRO 93 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 2dmd h PRO 93 CO 0.68 0.00 0.97 0.43 -0.23 0.00 0.00 178.00 179.85 2dmd n SER 94 N -2.32 2.08 -0.02 1.44 7.64 -1.26 -4.85 113.62 116.32 2dmd n SER 94 Ca 0.02 0.98 -0.13 0.00 1.01 0.00 0.00 58.87 60.75 2dmd n SER 94 Cb 0.23 -1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 62.23 2dmd n SER 94 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dmd h SER 95 N 7.68 0.02 0.00 6.43 0.02 -2.04 -3.54 113.55 122.12 2dmd h SER 95 Ca -0.41 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 2dmd h SER 95 Cb 1.33 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2dmd h SER 95 CO 0.98 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.85