#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p51 s ASN 2 N 0.00 5.33 0.16 6.12 2.20 -1.26 -4.94 114.94 122.54 1p51 s ASN 2 Ca 0.00 -0.61 -0.18 0.00 -0.94 0.00 0.00 52.86 51.13 1p51 s ASN 2 Cb 0.00 -0.18 0.06 0.00 -2.00 0.00 0.00 41.25 39.14 1p51 s ASN 2 CO 0.00 -1.10 1.67 0.50 -2.94 0.00 0.00 177.10 175.23 1p51 h LYS 3 N 0.35 -0.04 -0.66 3.55 3.64 -2.05 0.09 116.57 121.45 1p51 h LYS 3 Ca -0.35 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1p51 h LYS 3 Cb 1.28 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 1p51 h LYS 3 CO 0.43 -0.03 0.36 0.78 -2.27 0.00 0.00 179.45 178.72 1p51 h GLY 4 N -0.04 0.96 1.61 5.01 0.00 -1.99 0.40 103.07 109.01 1p51 h GLY 4 Ca 0.17 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 1p51 h GLY 4 CO -0.37 0.14 -0.43 0.83 0.00 0.00 0.00 176.54 176.71 1p51 h GLU 5 N 0.66 0.43 -0.21 4.80 5.08 -1.86 -2.90 114.58 120.58 1p51 h GLU 5 Ca 0.30 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1p51 h GLU 5 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1p51 h GLU 5 CO -0.19 0.78 0.01 1.25 -1.00 0.00 0.00 179.01 179.87 1p51 h LEU 6 N 0.36 0.36 -0.78 1.33 5.85 -0.38 -2.94 115.31 119.11 1p51 h LEU 6 Ca 0.03 -0.29 0.15 0.00 0.84 0.00 0.00 57.88 58.61 1p51 h LEU 6 Cb 0.90 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1p51 h LEU 6 CO 0.08 0.56 0.33 0.58 -0.34 0.00 0.00 178.44 179.64 1p51 h VAL 7 N 0.14 0.64 -0.22 1.05 2.07 -0.88 0.13 116.25 119.18 1p51 h VAL 7 Ca 0.06 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1p51 h VAL 7 Cb 0.37 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1p51 h VAL 7 CO 0.01 0.08 0.07 0.44 0.02 0.00 0.00 177.57 178.19 1p51 h ASP 8 N 0.46 0.08 0.35 0.57 3.32 -1.41 0.18 116.42 119.95 1p51 h ASP 8 Ca 0.44 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.41 1p51 h ASP 8 Cb 0.68 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1p51 h ASP 8 CO -0.41 0.07 -0.45 0.00 -1.72 0.00 0.00 179.24 176.73 1p51 h ALA 9 N 1.14 1.15 -0.04 3.45 0.00 -1.17 -1.38 119.26 122.41 1p51 h ALA 9 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1p51 h ALA 9 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1p51 h ALA 9 CO -0.11 0.59 -0.04 0.28 0.00 0.00 0.00 179.25 179.98 1p51 h VAL 10 N 0.11 1.38 -0.00 0.00 2.07 -0.43 -1.23 116.25 118.14 1p51 h VAL 10 Ca 0.01 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1p51 h VAL 10 Cb 0.84 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1p51 h VAL 10 CO 0.06 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1p51 h ALA 11 N 0.54 1.93 0.12 1.67 0.00 -0.58 -0.30 119.26 122.65 1p51 h ALA 11 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1p51 h ALA 11 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1p51 h ALA 11 CO 0.01 -0.00 -0.06 1.49 0.00 0.00 0.00 179.25 180.69 1p51 h GLU 12 N 0.00 -0.16 -0.25 0.00 4.57 -1.13 -1.89 114.58 115.72 1p51 h GLU 12 Ca 0.00 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1p51 h GLU 12 Cb 0.00 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1p51 h GLU 12 CO -0.00 0.29 -0.34 0.87 -1.18 0.00 0.00 179.01 178.64 1p51 h LYS 13 N -0.69 0.67 -0.00 1.92 1.57 -0.83 -3.08 116.57 116.12 1p51 h LYS 13 Ca -0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1p51 h LYS 13 Cb 0.52 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1p51 h LYS 13 CO 0.03 1.00 -0.01 0.00 -0.57 0.00 0.00 179.45 179.90 1p51 n ALA 14 N -2.51 2.50 -3.57 3.86 0.00 -0.16 -4.93 120.51 115.70 1p51 n ALA 14 Ca -0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1p51 n ALA 14 Cb 0.50 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.55 1p51 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1p51 n SER 15 N -1.30 -2.79 -4.33 0.00 7.64 -1.12 -5.03 113.62 106.70 1p51 n SER 15 Ca 0.13 -0.67 -0.24 0.00 1.01 0.00 0.00 58.87 59.09 1p51 n SER 15 Cb 0.26 -4.73 -0.09 0.00 -1.01 0.00 0.00 64.21 58.64 1p51 n SER 15 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1p51 s VAL 16 N -3.43 0.92 0.61 0.44 -7.23 -0.73 -5.05 120.40 105.93 1p51 s VAL 16 Ca 0.16 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 1p51 s VAL 16 Cb -0.07 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1p51 s VAL 16 CO 0.76 0.00 1.03 0.28 -0.31 0.00 0.00 175.10 176.86 1p51 s THR 17 N -3.22 4.41 0.31 5.32 -1.32 -1.26 -4.53 115.64 115.36 1p51 s THR 17 Ca 0.28 0.90 0.03 0.00 -1.21 0.00 0.00 61.69 61.69 1p51 s THR 17 Cb 0.05 -3.67 0.13 0.00 -1.51 0.00 0.00 72.50 67.50 1p51 s THR 17 CO 0.14 -0.91 1.83 0.11 -2.21 0.00 0.00 174.62 173.58 1p51 h LYS 18 N -0.06 0.56 -0.39 7.08 1.57 -1.91 -0.90 116.57 122.51 1p51 h LYS 18 Ca -0.45 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.09 1p51 h LYS 18 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1p51 h LYS 18 CO 0.60 0.62 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.71 1p51 h LYS 19 N 0.53 0.74 -0.24 3.15 3.64 -1.96 -1.46 116.57 120.96 1p51 h LYS 19 Ca 0.11 -0.27 -0.20 0.00 -1.27 0.00 0.00 60.65 59.02 1p51 h LYS 19 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1p51 h LYS 19 CO 0.02 0.86 -0.64 0.37 -2.27 0.00 0.00 179.45 177.79 1p51 h GLN 20 N 0.66 0.85 -0.70 1.90 4.15 -1.86 -2.14 115.11 117.97 1p51 h GLN 20 Ca 0.10 -0.60 -0.06 0.00 0.77 0.00 0.00 58.65 58.87 1p51 h GLN 20 Cb 0.65 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 1p51 h GLN 20 CO 0.05 1.22 0.21 0.00 -1.93 0.00 0.00 178.83 178.37 1p51 h ALA 21 N 0.64 0.92 -0.14 3.38 0.00 -1.08 -2.45 119.26 120.52 1p51 h ALA 21 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1p51 h ALA 21 Cb 1.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1p51 h ALA 21 CO 0.14 0.61 -0.04 0.22 0.00 0.00 0.00 179.25 180.18 1p51 h ASP 22 N 1.03 0.28 -0.70 0.00 1.82 -1.28 -2.36 116.42 115.20 1p51 h ASP 22 Ca 0.22 -0.38 0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1p51 h ASP 22 Cb 0.32 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.21 1p51 h ASP 22 CO -0.00 0.59 0.45 0.00 -1.61 0.00 0.00 179.24 178.67 1p51 h ALA 23 N 0.70 0.91 -0.12 -0.78 0.00 -1.32 0.12 119.26 118.76 1p51 h ALA 23 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1p51 h ALA 23 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1p51 h ALA 23 CO 0.01 0.26 -0.07 0.28 0.00 0.00 0.00 179.25 179.74 1p51 h VAL 24 N 0.90 1.33 -0.70 0.00 2.07 -1.50 -2.07 116.25 116.27 1p51 h VAL 24 Ca 0.27 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1p51 h VAL 24 Cb -0.04 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1p51 h VAL 24 CO -0.08 0.32 0.46 0.25 0.02 0.00 0.00 177.57 178.53 1p51 h LEU 25 N -0.11 0.77 0.22 2.57 5.85 -1.20 0.79 115.31 124.22 1p51 h LEU 25 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1p51 h LEU 25 Cb 0.54 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1p51 h LEU 25 CO 0.02 0.55 -0.14 0.74 -0.34 0.00 0.00 178.44 179.27 1p51 h THR 26 N 0.92 0.69 -0.83 1.05 2.02 -0.76 -0.65 112.91 115.35 1p51 h THR 26 Ca 0.27 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.47 1p51 h THR 26 Cb -0.06 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1p51 h THR 26 CO -0.08 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.35 1p51 h ALA 27 N 0.41 1.08 0.01 6.16 0.00 -1.13 0.59 119.26 126.37 1p51 h ALA 27 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1p51 h ALA 27 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p51 h ALA 27 CO 0.02 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 179.63 1p51 h ALA 28 N 1.33 -0.05 -0.20 0.00 0.00 -0.67 0.23 119.26 119.90 1p51 h ALA 28 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1p51 h ALA 28 Cb -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p51 h ALA 28 CO -0.09 -0.54 -0.30 -0.07 0.00 0.00 0.00 179.25 178.24 1p51 h LEU 29 N -0.08 0.40 -0.18 0.00 3.38 -0.81 -1.75 115.31 116.28 1p51 h LEU 29 Ca 0.02 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1p51 h LEU 29 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p51 h LEU 29 CO -0.04 0.70 -0.45 -0.33 0.09 0.00 0.00 178.44 178.41 1p51 h GLU 30 N 0.35 0.62 -0.54 1.13 5.08 -0.75 -2.86 114.58 117.61 1p51 h GLU 30 Ca 0.05 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1p51 h GLU 30 Cb 0.71 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1p51 h GLU 30 CO 0.05 1.05 0.17 1.15 -1.00 0.00 0.00 179.01 180.43 1p51 h THR 31 N 0.29 1.23 -0.28 1.13 2.02 -0.87 -1.73 112.91 114.70 1p51 h THR 31 Ca -0.01 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.44 1p51 h THR 31 Cb 1.06 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 1p51 h THR 31 CO 0.10 0.29 -0.06 0.40 0.37 0.00 0.00 175.52 176.62 1p51 h ILE 32 N 0.74 0.74 -0.06 3.11 2.04 -1.36 0.09 117.51 122.82 1p51 h ILE 32 Ca 0.17 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1p51 h ILE 32 Cb 0.27 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1p51 h ILE 32 CO -0.01 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.49 1p51 h ILE 33 N 0.02 0.84 -0.40 -0.67 2.04 -1.34 -1.06 117.51 116.92 1p51 h ILE 33 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1p51 h ILE 33 Cb 0.20 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1p51 h ILE 33 CO -0.27 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.58 1p51 h GLU 34 N -0.07 0.14 -0.10 2.37 4.39 -0.92 0.93 114.58 121.32 1p51 h GLU 34 Ca 0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1p51 h GLU 34 Cb 0.13 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1p51 h GLU 34 CO -0.10 0.09 0.05 0.00 -1.16 0.00 0.00 179.01 177.89 1p51 h ALA 35 N 1.33 0.13 -0.96 3.43 0.00 -0.70 -1.67 119.26 120.82 1p51 h ALA 35 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p51 h ALA 35 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1p51 h ALA 35 CO -0.30 -0.33 0.59 0.28 0.00 0.00 0.00 179.25 179.50 1p51 h VAL 36 N 0.05 1.26 -0.42 0.00 2.07 -0.99 -0.26 116.25 117.96 1p51 h VAL 36 Ca 0.03 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1p51 h VAL 36 Cb 0.09 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 1p51 h VAL 36 CO -0.00 0.27 0.08 0.28 0.02 0.00 0.00 177.57 178.21 1p51 h SER 37 N 1.31 0.58 -0.37 0.57 0.02 -0.41 -2.50 113.55 112.75 1p51 h SER 37 Ca 0.35 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1p51 h SER 37 Cb -0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1p51 h SER 37 CO -0.07 0.60 0.00 -1.54 -1.14 0.00 0.00 176.83 174.68 1p51 n SER 38 N -4.30 2.93 0.00 3.07 3.41 -0.66 -4.90 113.62 113.16 1p51 n SER 38 Ca 0.03 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1p51 n SER 38 Cb 0.22 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1p51 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p51 n GLY 39 N 0.77 0.62 3.63 5.00 0.00 -0.94 -5.07 105.19 109.21 1p51 n GLY 39 Ca 0.15 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1p51 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p51 s ASP 40 N -2.79 4.98 -0.03 1.61 3.68 -0.13 -5.02 116.67 118.98 1p51 s ASP 40 Ca 0.00 0.06 -0.22 0.00 2.13 0.00 0.00 52.55 54.52 1p51 s ASP 40 Cb 0.00 -1.37 -0.05 0.00 -1.45 0.00 0.00 42.92 40.05 1p51 s ASP 40 CO 0.00 0.36 0.64 -0.75 0.13 0.00 0.00 175.17 175.55 1p51 s LYS 41 N -0.77 4.39 -0.42 4.34 2.20 -1.26 -3.39 119.74 124.83 1p51 s LYS 41 Ca 0.12 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.44 1p51 s LYS 41 Cb -0.11 -3.39 0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1p51 s LYS 41 CO 0.02 0.23 0.26 0.08 -0.36 0.00 0.00 175.35 175.58 1p51 s VAL 42 N 0.25 4.33 -0.23 4.02 1.01 0.50 -4.96 120.40 125.32 1p51 s VAL 42 Ca 0.34 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1p51 s VAL 42 Cb -0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1p51 s VAL 42 CO 0.18 -0.47 0.12 -0.89 0.00 0.00 0.00 175.10 174.03 1p51 s THR 43 N 1.45 5.04 -0.27 3.92 2.01 -1.26 0.19 115.64 126.72 1p51 s THR 43 Ca 0.03 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1p51 s THR 43 Cb -0.23 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.02 1p51 s THR 43 CO 0.03 0.37 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.55 1p51 s LEU 44 N 0.99 2.99 0.30 4.42 1.43 0.81 -4.99 118.68 124.63 1p51 s LEU 44 Ca 0.06 -1.43 -0.30 0.00 -1.03 0.00 0.00 54.13 51.44 1p51 s LEU 44 Cb -0.14 -1.25 -0.13 0.00 0.03 0.00 0.00 46.19 44.71 1p51 s LEU 44 CO 0.04 -0.28 1.39 1.33 0.23 0.00 0.00 176.35 179.05 1p51 n VAL 45 N 4.60 1.46 0.00 -1.59 0.24 -1.26 -0.30 118.33 121.47 1p51 n VAL 45 Ca -0.08 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1p51 n VAL 45 Cb 0.43 -1.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1p51 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p51 n GLY 46 N 1.49 1.74 0.00 7.63 0.00 -1.26 -4.69 105.19 110.09 1p51 n GLY 46 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1p51 n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p51 n PHE 47 N 0.00 0.00 -2.16 1.61 7.35 -0.91 -2.01 117.46 121.33 1p51 n PHE 47 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1p51 n PHE 47 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1p51 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p51 n GLY 48 N 1.60 -1.44 3.25 7.13 0.00 0.59 0.34 105.19 116.66 1p51 n GLY 48 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1p51 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p51 s SER 49 N -2.59 2.46 -0.05 1.61 1.04 0.24 -0.13 113.70 116.27 1p51 s SER 49 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1p51 s SER 49 Cb 0.00 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1p51 s SER 49 CO 0.00 0.14 -0.21 -0.36 0.98 0.00 0.00 173.24 173.79 1p51 s PHE 50 N -0.86 2.52 0.19 5.02 0.40 0.13 -1.04 117.98 124.33 1p51 s PHE 50 Ca 0.07 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.73 1p51 s PHE 50 Cb -0.09 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1p51 s PHE 50 CO 0.02 -0.07 0.50 -1.83 0.70 0.00 0.00 175.22 174.54 1p51 s GLU 51 N -0.37 1.34 0.24 0.44 -1.05 -0.87 -0.37 118.70 118.07 1p51 s GLU 51 Ca 0.03 -0.86 -0.05 0.00 -0.15 0.00 0.00 54.97 53.94 1p51 s GLU 51 Cb -0.12 0.51 -0.06 0.00 -0.44 0.00 0.00 34.13 34.02 1p51 s GLU 51 CO 0.02 -0.56 0.51 -1.12 0.95 0.00 0.00 175.26 175.05 1p51 s SER 52 N -2.87 6.48 -0.07 0.83 0.01 -1.26 0.20 113.70 117.02 1p51 s SER 52 Ca 0.09 0.70 -0.00 0.00 1.31 0.00 0.00 55.95 58.05 1p51 s SER 52 Cb -0.01 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 64.11 1p51 s SER 52 CO -0.04 -0.11 -0.04 -0.13 0.41 0.00 0.00 173.24 173.33 1p51 s ARG 53 N -3.23 0.98 0.17 12.44 0.52 -0.76 -4.91 118.95 124.17 1p51 s ARG 53 Ca 0.44 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.25 1p51 s ARG 53 Cb -0.11 -1.10 -0.08 0.00 0.52 0.00 0.00 34.95 34.17 1p51 s ARG 53 CO 0.27 -0.19 1.34 -1.21 0.02 0.00 0.00 175.30 175.52 1p51 s GLU 54 N 1.45 4.36 -0.15 3.54 0.41 -1.26 -2.52 118.70 124.54 1p51 s GLU 54 Ca -0.02 2.07 0.02 0.00 -0.41 0.00 0.00 54.97 56.62 1p51 s GLU 54 Cb -0.13 -3.21 0.02 0.00 -1.78 0.00 0.00 34.13 29.02 1p51 s GLU 54 CO -0.03 -0.31 -0.19 0.50 -0.49 0.00 0.00 175.26 174.73 1p51 s ARG 55 N 0.25 2.76 0.80 1.61 3.52 0.16 -4.99 118.95 123.05 1p51 s ARG 55 Ca 0.59 -0.75 -0.11 0.00 -0.13 0.00 0.00 55.73 55.33 1p51 s ARG 55 Cb -0.37 -2.33 0.07 0.00 -1.56 0.00 0.00 34.95 30.77 1p51 s ARG 55 CO 0.36 -0.11 1.09 0.15 -0.81 0.00 0.00 175.30 175.97 1p51 s LYS 56 N 1.09 2.06 0.27 5.12 1.02 -1.26 -0.97 119.74 127.06 1p51 s LYS 56 Ca -0.02 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 1p51 s LYS 56 Cb -0.14 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1p51 s LYS 56 CO -0.06 -1.74 1.41 0.00 -0.92 0.00 0.00 175.35 174.04 1p51 s ALA 57 N -2.94 3.60 0.19 5.17 0.00 -1.26 -4.49 121.76 122.03 1p51 s ALA 57 Ca 0.61 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.90 1p51 s ALA 57 Cb -0.17 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1p51 s ALA 57 CO 0.56 -0.74 0.09 -0.98 0.00 0.00 0.00 175.76 174.69 1p51 s ARG 58 N -0.75 1.17 0.29 0.00 1.70 -0.69 -4.92 118.95 115.75 1p51 s ARG 58 Ca 0.57 -1.60 -0.28 0.00 -0.47 0.00 0.00 55.73 53.95 1p51 s ARG 58 Cb -0.42 0.06 -0.10 0.00 -0.57 0.00 0.00 34.95 33.93 1p51 s ARG 58 CO 0.46 -0.30 0.94 -1.21 -1.08 0.00 0.00 175.30 174.11 1p51 s GLU 59 N -4.07 4.70 0.24 3.89 2.02 -1.26 -0.96 118.70 123.26 1p51 s GLU 59 Ca 0.33 1.39 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 1p51 s GLU 59 Cb 0.07 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.32 1p51 s GLU 59 CO 0.09 0.38 0.35 0.41 0.02 0.00 0.00 175.26 176.50 1p51 n GLY 60 N 0.93 2.36 2.84 -1.39 0.00 0.51 -4.81 105.19 105.64 1p51 n GLY 60 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 1p51 n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p51 s ARG 61 N -2.52 0.02 -0.17 1.61 3.52 -1.26 -0.88 118.95 119.27 1p51 s ARG 61 Ca 0.19 0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.84 1p51 s ARG 61 Cb -0.01 -0.25 -0.08 0.00 -1.56 0.00 0.00 34.95 33.05 1p51 s ARG 61 CO 0.14 -0.21 2.12 -1.71 -0.81 0.00 0.00 175.30 174.83 1p51 n ASN 62 N 4.53 3.26 0.25 -2.12 2.85 -0.43 -4.87 115.26 118.74 1p51 n ASN 62 Ca -0.20 0.49 0.15 0.00 -0.11 0.00 0.00 54.58 54.90 1p51 n ASN 62 Cb 0.51 -1.47 0.82 0.00 1.24 0.00 0.00 39.78 40.88 1p51 n ASN 62 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1p51 h PRO 63 N 12.84 0.00 0.03 1.20 0.13 -1.96 -0.14 132.00 144.10 1p51 h PRO 63 Ca -0.41 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.33 1p51 h PRO 63 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1p51 h PRO 63 CO 0.96 0.00 -2.22 1.63 -0.23 0.00 0.00 178.00 178.15 1p51 n LYS 64 N -4.00 0.64 0.02 0.86 4.76 -1.26 -4.50 118.16 114.68 1p51 n LYS 64 Ca -0.01 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1p51 n LYS 64 Cb 0.18 -1.58 0.31 0.00 -1.84 0.00 0.00 35.03 32.09 1p51 n LYS 64 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1p51 n THR 65 N -3.78 0.13 -0.67 -0.18 -2.24 -1.20 -4.93 114.28 101.43 1p51 n THR 65 Ca -0.44 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1p51 n THR 65 Cb 0.92 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1p51 n THR 65 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1p51 n ASN 66 N -1.72 -0.42 -4.74 3.42 5.15 -0.07 -4.96 115.26 111.91 1p51 n ASN 66 Ca 0.05 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.62 1p51 n ASN 66 Cb 0.37 -1.89 -0.04 0.00 -0.53 0.00 0.00 39.78 37.69 1p51 n ASN 66 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1p51 s GLU 67 N -0.79 4.61 0.23 1.20 2.12 -1.25 -4.76 118.70 120.07 1p51 s GLU 67 Ca 0.00 1.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 1p51 s GLU 67 Cb 0.00 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.04 1p51 s GLU 67 CO 0.00 0.12 1.39 0.21 -0.54 0.00 0.00 175.26 176.44 1p51 s LYS 68 N -0.67 4.31 0.06 4.30 2.47 -1.26 -1.31 119.74 127.64 1p51 s LYS 68 Ca 0.48 2.21 -0.03 0.00 -1.56 0.00 0.00 55.97 57.06 1p51 s LYS 68 Cb -0.30 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 32.90 1p51 s LYS 68 CO 0.36 -0.35 0.04 0.00 0.16 0.00 0.00 175.35 175.56 1p51 s MET 69 N -0.29 0.66 -0.32 4.03 0.23 -0.06 -4.89 119.30 118.66 1p51 s MET 69 Ca 0.58 -1.08 -0.12 0.00 -1.03 0.00 0.00 55.69 54.05 1p51 s MET 69 Cb -0.40 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.12 1p51 s MET 69 CO 0.41 -0.15 0.21 -2.00 -2.03 0.00 0.00 175.02 171.47 1p51 s GLU 70 N -3.66 3.63 -0.14 3.16 2.12 -1.26 -0.36 118.70 122.19 1p51 s GLU 70 Ca 0.04 -0.54 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 1p51 s GLU 70 Cb 0.05 -3.73 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1p51 s GLU 70 CO -0.09 -0.35 1.36 0.42 -0.54 0.00 0.00 175.26 176.06 1p51 s ILE 71 N 1.72 4.11 0.80 -3.70 1.01 -0.13 -4.95 121.20 120.06 1p51 s ILE 71 Ca 0.06 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.94 1p51 s ILE 71 Cb -0.17 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.51 1p51 s ILE 71 CO 0.10 -0.13 1.09 -2.16 0.00 0.00 0.00 174.94 173.85 1p51 s PRO 72 N 3.65 2.02 0.36 2.79 0.04 -1.26 -1.71 135.00 140.89 1p51 s PRO 72 Ca 0.59 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1p51 s PRO 72 Cb -0.24 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1p51 s PRO 72 CO 0.18 -1.80 1.46 0.00 0.04 0.00 0.00 177.00 176.89 1p51 s ALA 73 N -2.89 3.57 0.31 8.56 0.00 -1.26 -4.57 121.76 125.48 1p51 s ALA 73 Ca 0.62 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 54.05 1p51 s ALA 73 Cb -0.18 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1p51 s ALA 73 CO 0.56 -0.98 0.46 -0.08 0.00 0.00 0.00 175.76 175.71 1p51 s THR 74 N -1.05 0.00 -0.06 0.00 -1.32 -0.14 -4.92 115.64 108.14 1p51 s THR 74 Ca 0.53 -1.58 0.04 0.00 -1.21 0.00 0.00 61.69 59.47 1p51 s THR 74 Cb -0.45 -2.55 -0.00 0.00 -1.51 0.00 0.00 72.50 67.99 1p51 s THR 74 CO 0.61 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.82 1p51 s ARG 75 N -3.32 2.18 0.10 7.08 1.70 -1.26 0.36 118.95 125.80 1p51 s ARG 75 Ca 0.29 -0.69 0.10 0.00 -0.47 0.00 0.00 55.73 54.96 1p51 s ARG 75 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 1p51 s ARG 75 CO 0.17 0.22 -0.24 0.14 -1.08 0.00 0.00 175.30 174.51 1p51 s VAL 76 N 0.17 2.39 0.41 4.99 -7.23 -1.05 -4.93 120.40 115.15 1p51 s VAL 76 Ca -0.09 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.25 1p51 s VAL 76 Cb -0.14 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1p51 s VAL 76 CO 0.04 0.18 1.31 -2.84 -0.31 0.00 0.00 175.10 173.48 1p51 s PRO 77 N -1.83 3.96 0.07 4.82 0.02 -1.26 -1.82 135.00 138.96 1p51 s PRO 77 Ca 0.14 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.34 1p51 s PRO 77 Cb -0.10 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 1p51 s PRO 77 CO 0.06 -0.50 -0.06 0.00 -0.33 0.00 0.00 177.00 176.17 1p51 s ALA 78 N -1.26 0.72 -0.02 -1.55 0.00 0.13 -4.91 121.76 114.87 1p51 s ALA 78 Ca 0.57 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1p51 s ALA 78 Cb -0.38 0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1p51 s ALA 78 CO 0.49 -0.21 0.02 0.12 0.00 0.00 0.00 175.76 176.18 1p51 s PHE 79 N -3.00 0.09 -0.15 0.00 5.36 -1.26 -2.05 117.98 116.97 1p51 s PHE 79 Ca 0.04 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.06 1p51 s PHE 79 Cb 0.01 -0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.42 1p51 s PHE 79 CO -0.04 -0.08 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.45 1p51 s SER 80 N 0.91 4.57 0.10 6.13 0.01 -0.21 -4.98 113.70 120.23 1p51 s SER 80 Ca -0.08 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 1p51 s SER 80 Cb -0.11 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 1p51 s SER 80 CO -0.02 0.17 0.95 0.00 0.41 0.00 0.00 173.24 174.75 1p51 s ALA 81 N 0.34 3.24 0.75 1.44 0.00 -1.26 -0.59 121.76 125.68 1p51 s ALA 81 Ca -0.06 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 1p51 s ALA 81 Cb -0.15 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.75 1p51 s ALA 81 CO 0.04 -0.04 1.11 0.20 0.00 0.00 0.00 175.76 177.06 1p51 s GLY 82 N 0.10 1.62 0.25 0.00 0.00 0.15 -4.84 107.32 104.60 1p51 s GLY 82 Ca 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 1p51 s GLY 82 CO 0.29 0.07 1.81 1.70 0.00 0.00 0.00 173.10 176.97 1p51 h LYS 83 N -0.87 0.79 -0.54 2.90 3.64 -1.84 -1.59 116.57 119.06 1p51 h LYS 83 Ca -0.46 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1p51 h LYS 83 Cb 1.27 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1p51 h LYS 83 CO 0.63 0.53 0.07 1.25 -2.27 0.00 0.00 179.45 179.65 1p51 h LEU 84 N 0.82 0.87 -0.14 5.20 5.85 -1.88 -1.23 115.31 124.78 1p51 h LEU 84 Ca 0.41 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1p51 h LEU 84 Cb 0.37 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1p51 h LEU 84 CO -0.25 0.92 0.09 0.15 -0.34 0.00 0.00 178.44 179.01 1p51 h PHE 85 N 0.79 0.17 0.00 1.25 3.04 -0.78 -0.38 116.94 121.03 1p51 h PHE 85 Ca 0.16 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1p51 h PHE 85 Cb 0.43 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 1p51 h PHE 85 CO 0.03 0.11 -0.08 0.00 -2.02 0.00 0.00 178.31 176.35 1p51 h ARG 86 N 0.19 0.00 0.00 1.11 3.08 -1.14 -2.05 114.38 115.56 1p51 h ARG 86 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1p51 h ARG 86 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1p51 h ARG 86 CO -0.02 0.08 -1.76 0.39 -1.07 0.00 0.00 179.97 177.59 1p51 n GLU 87 N -3.36 0.64 0.04 0.04 1.02 -0.48 -1.27 120.64 117.27 1p51 n GLU 87 Ca -0.01 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 1p51 n GLU 87 Cb 0.25 -1.69 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1p51 n GLU 87 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1p51 h LYS 88 N 0.00 0.42 0.03 3.49 1.79 -0.92 -1.21 116.57 120.17 1p51 h LYS 88 Ca -0.24 -0.30 -0.26 0.00 -2.18 0.00 0.00 60.65 57.67 1p51 h LYS 88 Cb 1.69 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 32.40 1p51 h LYS 88 CO 0.04 0.92 -1.04 0.28 -1.08 0.00 0.00 179.45 178.57 1p51 h VAL 89 N 0.31 1.34 -2.47 0.50 2.07 -1.48 -3.41 116.25 113.12 1p51 h VAL 89 Ca -0.01 -2.41 -0.53 0.00 0.82 0.00 0.00 66.70 64.57 1p51 h VAL 89 Cb 1.18 2.47 -0.37 0.00 -1.52 0.00 0.00 31.29 33.05 1p51 h VAL 89 CO 0.11 0.73 -0.81 0.00 0.02 0.00 0.00 177.57 177.62 1p51 s ALA 90 N -3.21 0.61 0.20 1.67 0.00 -0.40 -5.09 121.76 115.54 1p51 s ALA 90 Ca -0.08 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 1p51 s ALA 90 Cb 0.08 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1p51 s ALA 90 CO 0.90 -2.08 1.39 -2.14 0.00 0.00 0.00 175.76 173.83 1p51 s PRO 91 N 1.23 4.32 0.00 0.00 0.02 -0.46 -4.17 135.00 135.95 1p51 s PRO 91 Ca 0.17 2.17 0.11 0.00 0.02 0.00 0.00 61.00 63.47 1p51 s PRO 91 Cb -0.21 -3.17 0.63 0.00 0.02 0.00 0.00 34.50 31.77 1p51 s PRO 91 CO -0.03 -0.37 1.07 -2.30 -0.33 0.00 0.00 177.00 175.04