#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1z n ASP 2 N 0.00 -0.67 -0.03 7.83 8.00 -1.26 -4.83 116.55 125.59 1a1z n ASP 2 Ca 0.00 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 1a1z n ASP 2 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 41.12 39.64 1a1z n ASP 2 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1a1z h PRO 3 N -2.12 0.08 -0.07 -0.24 0.13 -2.02 -2.73 132.00 125.04 1a1z h PRO 3 Ca -0.49 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1a1z h PRO 3 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1a1z h PRO 3 CO 0.43 0.64 0.08 0.35 -0.23 0.00 0.00 178.00 179.26 1a1z h PHE 4 N -0.46 0.00 -0.00 1.56 3.04 -1.96 -2.16 116.94 116.96 1a1z h PHE 4 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1a1z h PHE 4 Cb 0.64 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1a1z h PHE 4 CO 0.12 0.00 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.29 1a1z h LEU 5 N 0.00 0.05 -1.97 0.59 3.38 -1.89 -1.86 115.31 113.61 1a1z h LEU 5 Ca 0.03 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.36 1a1z h LEU 5 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1a1z h LEU 5 CO -0.00 0.83 0.38 0.58 0.09 0.00 0.00 178.44 180.31 1a1z h VAL 6 N -0.72 0.75 0.11 1.22 2.07 -1.09 0.17 116.25 118.76 1a1z h VAL 6 Ca -0.01 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 1a1z h VAL 6 Cb 0.84 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1a1z h VAL 6 CO 0.01 0.01 -1.19 0.25 0.02 0.00 0.00 177.57 176.66 1a1z h LEU 7 N 0.03 0.47 -1.82 2.57 5.85 -1.42 -3.14 115.31 117.85 1a1z h LEU 7 Ca 0.25 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1a1z h LEU 7 Cb 0.96 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1a1z h LEU 7 CO -0.01 1.35 0.00 -0.07 -0.34 0.00 0.00 178.44 179.36 1a1z h LEU 8 N 0.11 0.00 -0.72 2.25 3.38 0.18 -2.10 115.31 118.40 1a1z h LEU 8 Ca -0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1a1z h LEU 8 Cb 1.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 1a1z h LEU 8 CO 0.20 0.00 -0.51 -0.74 0.09 0.00 0.00 178.44 177.48 1a1z h HIS 9 N 0.00 0.00 0.00 1.13 2.76 -1.28 -1.58 115.15 116.18 1a1z h HIS 9 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1a1z h HIS 9 Cb 0.29 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1a1z h HIS 9 CO 0.00 0.51 -0.71 0.77 -1.30 0.00 0.00 177.93 177.20 1a1z h SER 10 N 0.00 0.00 0.05 3.26 0.02 -1.51 -3.36 113.55 112.00 1a1z h SER 10 Ca -0.01 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1a1z h SER 10 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1a1z h SER 10 CO 0.07 1.11 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.45 1a1z h VAL 11 N -1.00 1.04 -0.51 2.27 -1.51 -1.60 -1.95 116.25 112.99 1a1z h VAL 11 Ca -0.16 -0.17 0.07 0.00 -1.23 0.00 0.00 66.70 65.21 1a1z h VAL 11 Cb 0.90 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 1a1z h VAL 11 CO -0.10 0.05 0.34 -1.28 -1.23 0.00 0.00 177.57 175.36 1a1z h SER 12 N 0.01 0.35 0.68 4.19 0.87 -1.43 -0.79 113.55 117.43 1a1z h SER 12 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1a1z h SER 12 Cb 0.09 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1a1z h SER 12 CO 0.01 0.22 -0.54 -1.28 -0.53 0.00 0.00 176.83 174.70 1a1z h SER 13 N 0.39 0.00 1.75 6.23 0.87 -1.49 -2.88 113.55 118.42 1a1z h SER 13 Ca 0.23 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1a1z h SER 13 Cb 0.39 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1a1z h SER 13 CO -0.06 0.54 -0.15 -1.28 -0.53 0.00 0.00 176.83 175.36 1a1z h SER 14 N 0.00 0.00 0.70 6.23 0.87 -1.23 -3.33 113.55 116.80 1a1z h SER 14 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1a1z h SER 14 Cb 1.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1a1z h SER 14 CO 0.07 0.15 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.11 1a1z h LEU 15 N 0.00 -0.80 0.00 2.23 3.38 -1.20 -3.46 115.31 115.46 1a1z h LEU 15 Ca -0.00 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1a1z h LEU 15 Cb 1.06 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1a1z h LEU 15 CO 0.02 -0.54 -0.19 -1.20 0.09 0.00 0.00 178.44 176.62 1a1z n SER 16 N -4.73 -5.68 0.27 -0.43 7.64 -1.24 -2.43 113.62 107.02 1a1z n SER 16 Ca -0.12 0.56 0.18 0.00 1.01 0.00 0.00 58.87 60.51 1a1z n SER 16 Cb 0.37 -1.58 0.95 0.00 -1.01 0.00 0.00 64.21 62.94 1a1z n SER 16 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1a1z h SER 17 N -0.48 0.00 0.63 6.43 0.87 -1.96 -2.84 113.55 116.19 1a1z h SER 17 Ca 0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1a1z h SER 17 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1a1z h SER 17 CO 0.00 0.00 -0.30 0.28 -0.53 0.00 0.00 176.83 176.28 1a1z h SER 18 N 0.00 -0.71 -0.17 6.23 0.02 -1.93 -1.49 113.55 115.50 1a1z h SER 18 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1a1z h SER 18 Cb 0.05 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1a1z h SER 18 CO 0.00 -0.40 0.09 -0.08 -1.14 0.00 0.00 176.83 175.30 1a1z h GLU 19 N -1.06 0.19 -0.72 3.45 4.81 -1.34 -1.59 114.58 118.33 1a1z h GLU 19 Ca -0.09 -0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.31 1a1z h GLU 19 Cb 0.65 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1a1z h GLU 19 CO 0.14 0.12 0.50 -0.07 -0.73 0.00 0.00 179.01 178.97 1a1z h LEU 20 N 0.19 0.18 0.46 1.64 4.07 -1.56 -1.27 115.31 119.02 1a1z h LEU 20 Ca 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1a1z h LEU 20 Cb 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1a1z h LEU 20 CO -0.04 0.09 -0.22 0.74 -1.08 0.00 0.00 178.44 177.93 1a1z h THR 21 N 0.19 0.32 0.40 0.22 2.02 -0.26 -1.70 112.91 114.10 1a1z h THR 21 Ca 0.35 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1a1z h THR 21 Cb 1.11 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1a1z h THR 21 CO -0.06 0.06 -0.19 -0.08 0.37 0.00 0.00 175.52 175.61 1a1z h GLU 22 N -1.02 -0.52 -0.63 6.66 4.57 -1.13 -2.53 114.58 119.97 1a1z h GLU 22 Ca -0.06 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.33 1a1z h GLU 22 Cb 0.57 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1a1z h GLU 22 CO 0.10 -0.35 0.67 -0.07 -1.18 0.00 0.00 179.01 178.18 1a1z h LEU 23 N -0.54 0.00 0.16 1.64 4.07 -1.40 -0.87 115.31 118.36 1a1z h LEU 23 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1a1z h LEU 23 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1a1z h LEU 23 CO 0.09 0.00 -0.08 0.50 -1.08 0.00 0.00 178.44 177.87 1a1z h LYS 24 N 0.00 -0.20 0.15 1.13 3.64 -0.93 0.25 116.57 120.61 1a1z h LYS 24 Ca 0.30 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1a1z h LYS 24 Cb 1.63 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 1a1z h LYS 24 CO -0.00 0.22 -0.25 0.78 -2.27 0.00 0.00 179.45 177.92 1a1z h GLY 25 N -0.74 -0.49 2.00 5.01 0.00 -0.77 -0.35 103.07 107.73 1a1z h GLY 25 Ca -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1a1z h GLY 25 CO 0.04 -0.22 -0.02 -2.00 0.00 0.00 0.00 176.54 174.33 1a1z h LEU 26 N -0.48 0.00 -0.81 3.11 6.46 -1.53 -1.77 115.31 120.30 1a1z h LEU 26 Ca 0.02 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.66 1a1z h LEU 26 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1a1z h LEU 26 CO -0.12 0.02 -0.60 0.00 -0.62 0.00 0.00 178.44 177.13 1a1z h LEU 28 N 0.00 0.32 -4.45 0.00 4.07 -0.72 -0.55 115.31 113.99 1a1z h LEU 28 Ca -0.01 0.07 -0.69 0.00 0.08 0.00 0.00 57.88 57.34 1a1z h LEU 28 Cb 1.06 0.03 -0.32 0.00 1.08 0.00 0.00 40.66 42.51 1a1z h LEU 28 CO 0.08 0.19 0.53 0.61 -1.08 0.00 0.00 178.44 178.77 1a1z n GLY 29 N -1.30 5.81 2.08 0.83 0.00 -1.17 -4.42 105.19 107.03 1a1z n GLY 29 Ca 0.10 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.63 1a1z n GLY 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a1z n ARG 30 N -0.68 0.00 0.00 1.61 0.63 -0.67 -5.04 116.66 112.51 1a1z n ARG 30 Ca 0.54 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1a1z n ARG 30 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1a1z n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1a1z n VAL 31 N -2.83 0.00 0.00 5.15 0.31 -0.30 -5.06 118.33 115.60 1a1z n VAL 31 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1a1z n VAL 31 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1a1z n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a1z n GLY 32 N 2.13 3.01 0.24 2.92 0.00 -1.05 -4.96 105.19 107.48 1a1z n GLY 32 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1a1z n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a1z h LYS 33 N 0.00 0.82 -0.95 1.61 1.57 -1.81 -2.30 116.57 115.51 1a1z h LYS 33 Ca 0.00 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1a1z h LYS 33 Cb 0.00 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1a1z h LYS 33 CO 0.00 0.87 0.63 0.00 -0.57 0.00 0.00 179.45 180.37 1a1z h ARG 34 N 0.67 1.20 -0.22 3.15 3.08 -1.97 -1.30 114.38 118.98 1a1z h ARG 34 Ca 0.13 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1a1z h ARG 34 Cb 0.49 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a1z h ARG 34 CO 0.02 0.79 -0.27 0.87 -1.07 0.00 0.00 179.97 180.31 1a1z h LYS 35 N 1.23 0.42 0.00 0.04 1.57 -1.87 -2.50 116.57 115.46 1a1z h LYS 35 Ca 0.36 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1a1z h LYS 35 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1a1z h LYS 35 CO -0.10 0.66 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.99 1a1z h LEU 36 N 0.37 0.00 -2.01 2.94 3.38 -0.69 -2.39 115.31 116.90 1a1z h LEU 36 Ca 0.05 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.16 1a1z h LEU 36 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1a1z h LEU 36 CO 0.05 0.38 0.35 -0.33 0.09 0.00 0.00 178.44 178.98 1a1z h GLU 37 N 0.00 0.00 0.00 1.13 5.08 -0.92 -1.06 114.58 118.81 1a1z h GLU 37 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1a1z h GLU 37 Cb 0.69 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1a1z h GLU 37 CO 0.05 0.00 -1.99 0.54 -1.00 0.00 0.00 179.01 176.61 1a1z n ARG 38 N -4.32 0.66 -1.66 2.33 1.74 -0.94 -4.93 116.66 109.54 1a1z n ARG 38 Ca 0.08 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.86 1a1z n ARG 38 Cb 0.56 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1a1z n ARG 38 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1a1z n VAL 39 N -2.84 2.24 0.00 1.55 3.14 -0.40 -4.86 118.33 117.15 1a1z n VAL 39 Ca -0.22 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.66 1a1z n VAL 39 Cb 1.04 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 1a1z n VAL 39 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a1z n GLN 40 N 0.36 0.00 -0.20 1.45 6.02 -1.26 -4.98 117.38 118.77 1a1z n GLN 40 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1a1z n GLN 40 Cb 0.37 -0.13 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1a1z n GLN 40 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1a1z n SER 41 N -2.23 1.73 0.07 1.08 7.64 -1.26 -5.02 113.62 115.63 1a1z n SER 41 Ca 0.00 -0.11 -0.21 0.00 1.01 0.00 0.00 58.87 59.56 1a1z n SER 41 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1a1z n SER 41 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a1z h GLY 42 N 0.00 0.40 2.00 0.23 0.00 -1.95 -3.25 103.07 100.50 1a1z h GLY 42 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1a1z h GLY 42 CO 0.00 0.90 0.00 1.41 0.00 0.00 0.00 176.54 178.85 1a1z h LEU 43 N -0.23 0.00 0.43 3.11 -0.00 -1.91 -2.53 115.31 114.17 1a1z h LEU 43 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.66 1a1z h LEU 43 Cb 1.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 1a1z h LEU 43 CO 0.17 0.00 -0.20 0.44 -0.00 0.00 0.00 178.44 178.84 1a1z h ASP 44 N 0.00 -0.48 -0.61 -0.43 5.19 -1.95 -1.13 116.42 117.00 1a1z h ASP 44 Ca 0.00 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1a1z h ASP 44 Cb 0.18 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1a1z h ASP 44 CO 0.00 -0.05 0.41 0.25 -3.12 0.00 0.00 179.24 176.72 1a1z h LEU 45 N -1.12 0.65 -1.09 1.55 5.85 -1.64 -0.73 115.31 118.78 1a1z h LEU 45 Ca -0.06 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1a1z h LEU 45 Cb 0.47 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1a1z h LEU 45 CO 0.10 0.46 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.98 1a1z h PHE 46 N 0.76 0.00 -0.01 1.25 0.04 -1.48 -2.54 116.94 114.96 1a1z h PHE 46 Ca 0.24 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.82 1a1z h PHE 46 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1a1z h PHE 46 CO -0.00 0.41 -0.84 1.03 -0.60 0.00 0.00 178.31 178.31 1a1z h SER 47 N 0.00 0.26 0.08 2.17 0.87 0.18 -2.66 113.55 114.46 1a1z h SER 47 Ca -0.00 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1a1z h SER 47 Cb 0.82 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1a1z h SER 47 CO 0.05 0.98 -0.04 0.24 -0.53 0.00 0.00 176.83 177.54 1a1z h MET 48 N 0.12 -0.10 0.06 2.24 2.86 -1.19 -2.34 114.93 116.58 1a1z h MET 48 Ca -0.04 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1a1z h MET 48 Cb 1.45 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1a1z h MET 48 CO 0.13 0.42 -0.21 -0.07 1.06 0.00 0.00 176.91 178.24 1a1z h LEU 49 N -0.71 -0.60 -2.01 1.22 3.38 -1.55 -0.17 115.31 114.88 1a1z h LEU 49 Ca -0.01 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1a1z h LEU 49 Cb 0.57 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1a1z h LEU 49 CO 0.02 -0.29 0.32 0.25 0.09 0.00 0.00 178.44 178.83 1a1z h LEU 50 N -0.37 0.00 0.65 1.67 5.85 -1.55 -2.38 115.31 119.18 1a1z h LEU 50 Ca 0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1a1z h LEU 50 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1a1z h LEU 50 CO -0.15 0.00 -0.45 -0.08 -0.34 0.00 0.00 178.44 177.42 1a1z h GLU 51 N 0.00 -1.01 -0.61 1.25 4.81 -0.44 -3.44 114.58 115.14 1a1z h GLU 51 Ca 0.21 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1a1z h GLU 51 Cb 0.84 0.23 -0.18 0.00 0.63 0.00 0.00 28.75 30.27 1a1z h GLU 51 CO -0.00 -0.67 -0.29 -1.14 -0.73 0.00 0.00 179.01 176.18 1a1z s GLN 52 N -5.60 0.52 0.00 1.92 0.74 -0.92 -5.05 119.66 111.26 1a1z s GLN 52 Ca -0.17 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1a1z s GLN 52 Cb 0.03 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.19 1a1z s GLN 52 CO 0.54 -0.74 0.00 0.09 -0.55 0.00 0.00 175.29 174.63 1a1z n ASN 53 N 3.91 0.00 -2.68 6.67 4.13 -1.03 -4.93 115.26 121.33 1a1z n ASN 53 Ca 0.09 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.30 1a1z n ASN 53 Cb 0.60 0.25 0.07 0.00 -1.54 0.00 0.00 39.78 39.16 1a1z n ASN 53 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a1z n ASP 54 N -1.92 -1.66 -3.38 6.41 -0.08 -1.23 -5.09 116.55 109.60 1a1z n ASP 54 Ca 0.00 -2.10 0.02 0.00 -1.51 0.00 0.00 54.79 51.20 1a1z n ASP 54 Cb 0.00 0.96 -0.03 0.00 2.34 0.00 0.00 41.12 44.39 1a1z n ASP 54 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1a1z s LEU 55 N -0.21 -0.87 -0.10 -2.67 0.20 -1.25 -4.55 118.68 109.23 1a1z s LEU 55 Ca 0.27 0.94 -0.32 0.00 0.69 0.00 0.00 54.13 55.72 1a1z s LEU 55 Cb 0.21 1.89 0.12 0.00 -0.43 0.00 0.00 46.19 47.98 1a1z s LEU 55 CO -0.12 -0.17 1.05 -1.83 -0.29 0.00 0.00 176.35 175.00 1a1z s GLU 56 N 2.73 0.56 -0.86 1.98 -1.05 -1.21 -4.16 118.70 116.69 1a1z s GLU 56 Ca 0.01 -0.19 -0.21 0.00 -0.15 0.00 0.00 54.97 54.44 1a1z s GLU 56 Cb -0.10 0.26 -0.22 0.00 -0.44 0.00 0.00 34.13 33.63 1a1z s GLU 56 CO -0.18 -0.24 2.38 -2.30 0.95 0.00 0.00 175.26 175.87 1a1z n PRO 57 N -0.12 0.33 0.00 -4.83 -0.02 -1.26 -0.40 135.00 128.71 1a1z n PRO 57 Ca -0.04 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1a1z n PRO 57 Cb 0.60 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1a1z n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a1z n GLY 58 N 6.16 1.30 2.65 -1.23 0.00 -1.26 -5.02 105.19 107.80 1a1z n GLY 58 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.55 1a1z n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1a1z n HIS 59 N -0.24 -0.08 -1.69 1.61 -0.00 0.47 -5.01 115.22 110.27 1a1z n HIS 59 Ca 0.00 -0.55 -0.20 0.00 -0.00 0.00 0.00 57.72 56.97 1a1z n HIS 59 Cb 0.00 1.12 0.09 0.00 -0.00 0.00 0.00 29.99 31.20 1a1z n HIS 59 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1a1z n THR 60 N -0.41 2.77 0.19 3.57 -2.24 -1.25 -3.31 114.28 113.59 1a1z n THR 60 Ca -0.29 -3.49 0.04 0.00 -2.27 0.00 0.00 64.05 58.04 1a1z n THR 60 Cb 0.63 -0.88 0.36 0.00 -2.10 0.00 0.00 70.33 68.35 1a1z n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1a1z h GLU 61 N 1.76 0.00 0.43 -0.78 5.08 -1.95 -2.52 114.58 116.60 1a1z h GLU 61 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1a1z h GLU 61 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1a1z h GLU 61 CO 0.81 0.39 -0.21 1.25 -1.00 0.00 0.00 179.01 180.25 1a1z h LEU 62 N 0.00 -0.49 0.22 1.33 5.85 -1.83 -1.88 115.31 118.51 1a1z h LEU 62 Ca -0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1a1z h LEU 62 Cb 0.76 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1a1z h LEU 62 CO 0.05 -0.09 -0.26 0.25 -0.34 0.00 0.00 178.44 178.05 1a1z h LEU 63 N -0.99 -0.72 -2.05 2.25 5.85 -1.79 -0.78 115.31 117.07 1a1z h LEU 63 Ca -0.06 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1a1z h LEU 63 Cb 0.56 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1a1z h LEU 63 CO 0.10 -0.37 0.36 0.08 -0.34 0.00 0.00 178.44 178.26 1a1z h ARG 64 N -0.54 0.00 -0.04 1.25 0.11 -1.53 -1.21 114.38 112.42 1a1z h ARG 64 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1a1z h ARG 64 Cb 0.51 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 1a1z h ARG 64 CO -0.08 0.00 -0.01 1.49 0.10 0.00 0.00 179.97 181.47 1a1z h GLU 65 N 0.00 0.08 -0.72 0.08 4.81 -0.28 -1.92 114.58 116.63 1a1z h GLU 65 Ca 0.18 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1a1z h GLU 65 Cb 0.89 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1a1z h GLU 65 CO -0.00 0.42 0.44 -0.07 -0.73 0.00 0.00 179.01 179.07 1a1z h LEU 66 N -0.26 0.69 -1.50 1.64 3.38 -0.87 -0.10 115.31 118.29 1a1z h LEU 66 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a1z h LEU 66 Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1a1z h LEU 66 CO 0.00 0.46 0.11 -0.07 0.09 0.00 0.00 178.44 179.04 1a1z h LEU 67 N 0.82 0.40 -1.32 1.67 3.38 -1.38 -0.49 115.31 118.39 1a1z h LEU 67 Ca 0.31 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1a1z h LEU 67 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a1z h LEU 67 CO -0.15 0.38 -0.12 0.00 0.09 0.00 0.00 178.44 178.65 1a1z h ALA 68 N 1.68 1.44 -0.54 1.53 0.00 -0.21 -2.36 119.26 120.80 1a1z h ALA 68 Ca 0.11 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1a1z h ALA 68 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1a1z h ALA 68 CO -0.01 0.39 -0.01 1.03 0.00 0.00 0.00 179.25 180.66 1a1z h SER 69 N 0.30 0.94 0.45 0.00 0.87 -0.48 -1.83 113.55 113.81 1a1z h SER 69 Ca 0.06 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1a1z h SER 69 Cb 0.39 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1a1z h SER 69 CO 0.02 1.02 0.00 0.25 -0.53 0.00 0.00 176.83 177.60 1a1z h LEU 70 N 0.84 0.00 0.99 2.23 6.46 -1.14 -3.45 115.31 121.24 1a1z h LEU 70 Ca 0.15 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1a1z h LEU 70 Cb 0.54 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1a1z h LEU 70 CO 0.03 0.00 -0.19 -1.14 -0.62 0.00 0.00 178.44 176.52 1a1z n ARG 71 N -2.31 -0.59 -3.31 1.25 0.63 -0.69 -4.98 116.66 106.67 1a1z n ARG 71 Ca 0.01 0.41 -0.46 0.00 -0.92 0.00 0.00 57.85 56.88 1a1z n ARG 71 Cb 0.16 -4.31 -0.03 0.00 0.45 0.00 0.00 32.46 28.72 1a1z n ARG 71 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1a1z s ARG 72 N -4.18 3.33 0.35 -0.14 1.81 -1.20 -4.87 118.95 114.05 1a1z s ARG 72 Ca 0.00 -2.11 0.24 0.00 -1.72 0.00 0.00 55.73 52.14 1a1z s ARG 72 Cb 0.00 -4.37 0.45 0.00 -0.45 0.00 0.00 34.95 30.58 1a1z s ARG 72 CO 0.00 -1.32 1.62 0.45 -0.68 0.00 0.00 175.30 175.37 1a1z h HIS 73 N 8.30 0.00 -0.29 -0.53 3.86 -1.93 -2.19 115.15 122.36 1a1z h HIS 73 Ca -0.08 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.98 1a1z h HIS 73 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1a1z h HIS 73 CO 0.90 0.00 -0.45 -0.44 0.86 0.00 0.00 177.93 178.80 1a1z h ASP 74 N 0.00 0.80 0.00 2.45 3.32 -1.99 -1.46 116.42 119.54 1a1z h ASP 74 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 57.03 56.45 1a1z h ASP 74 Cb 0.92 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1a1z h ASP 74 CO 0.00 1.13 -1.25 0.18 -1.72 0.00 0.00 179.24 177.58 1a1z n LEU 75 N -4.02 1.86 0.01 1.55 4.77 -1.24 -3.98 117.00 115.96 1a1z n LEU 75 Ca -0.03 0.45 0.22 0.00 -0.03 0.00 0.00 56.01 56.62 1a1z n LEU 75 Cb 0.56 -0.93 0.73 0.00 -2.33 0.00 0.00 43.42 41.44 1a1z n LEU 75 CO 0.47 0.17 1.20 0.25 -1.33 0.00 0.00 177.39 178.15 1a1z h LEU 76 N -1.00 0.00 -0.40 2.23 7.12 -1.52 0.18 115.31 121.92 1a1z h LEU 76 Ca -0.32 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.62 1a1z h LEU 76 Cb 1.20 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 1a1z h LEU 76 CO -0.19 0.00 -0.03 -0.09 -0.13 0.00 0.00 178.44 178.00 1a1z h ARG 77 N 0.00 0.72 -0.49 1.25 2.43 -1.40 -2.74 114.38 114.14 1a1z h ARG 77 Ca 0.25 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1a1z h ARG 77 Cb 1.15 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1a1z h ARG 77 CO -0.00 0.82 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.12 1a1z h ARG 78 N 0.54 0.87 0.48 0.20 2.43 -1.10 0.62 114.38 118.42 1a1z h ARG 78 Ca 0.11 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1a1z h ARG 78 Cb 0.52 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1a1z h ARG 78 CO 0.03 0.91 -0.31 0.28 -1.51 0.00 0.00 179.97 179.37 1a1z h VAL 79 N 0.79 0.00 0.00 0.20 2.07 -1.28 -1.95 116.25 116.08 1a1z h VAL 79 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1a1z h VAL 79 Cb 0.57 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1a1z h VAL 79 CO 0.03 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.95 1a1z n ASP 80 N -4.29 0.14 0.08 0.57 -0.08 -1.05 -2.56 116.55 109.36 1a1z n ASP 80 Ca -0.09 0.53 -0.06 0.00 -1.51 0.00 0.00 54.79 53.67 1a1z n ASP 80 Cb 0.31 -0.56 -0.06 0.00 2.34 0.00 0.00 41.12 43.15 1a1z n ASP 80 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1a1z h ASP 81 N 0.00 0.00 -0.35 1.67 3.58 -0.25 -3.17 116.42 117.90 1a1z h ASP 81 Ca 0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 1a1z h ASP 81 Cb 0.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1a1z h ASP 81 CO 0.00 0.92 0.40 0.15 -2.88 0.00 0.00 179.24 177.83 1a1z h PHE 82 N 0.00 0.00 -0.01 0.28 3.57 -1.09 -3.50 116.94 116.19 1a1z h PHE 82 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1a1z h PHE 82 Cb 1.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1a1z h PHE 82 CO 0.00 0.00 0.00 -1.91 -2.23 0.00 0.00 178.31 174.17